CID 146155801

Tert-butyl n-{3-[3-(dimethylamino)phenyl]pyrrolidin-3-yl}carbamate hydrochloride

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C2=CC(=CC=C2)N(C)C
InChI
InChI=1S/C17H27N3O2/c1-16(2,3)22-15(21)19-17(9-10-18-12-17)13-7-6-8-14(11-13)20(4)5/h6-8,11,18H,9-10,12H2,1-5H3,(H,19,21)
InChIKey
QDWUZVOVNWSXCO-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[3-(dimethylamino)phenyl]pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.217606 174.3
[M+Na]+ 328.199548 177.7
[M-H]- 304.203054 179.1
[M+NH4]+ 323.244153 190.8
[M+K]+ 344.173488 176.1
[M+H-H2O]+ 288.207590 167.1
[M+HCOO]- 350.208531 193.4
[M+CH3COO]- 364.224181 208.2
[M+Na-2H]- 326.184996 176.6
[M]+ 305.20978142 172.4
[M]- 305.21087858 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.