CID 145912885

Tert-butyl n-[3-(3-fluorophenyl)pyrrolidin-3-yl]carbamate hydrochloride

Structural Information

Molecular Formula
C15H21FN2O2
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C2=CC(=CC=C2)F
InChI
InChI=1S/C15H21FN2O2/c1-14(2,3)20-13(19)18-15(7-8-17-10-15)11-5-4-6-12(16)9-11/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,19)
InChIKey
MCHACKJXVNWYPF-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(3-fluorophenyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.165976 165.6
[M+Na]+ 303.147918 170.8
[M-H]- 279.151424 168.0
[M+NH4]+ 298.192523 182.9
[M+K]+ 319.121858 167.6
[M+H-H2O]+ 263.155960 158.2
[M+HCOO]- 325.156901 182.9
[M+CH3COO]- 339.172551 196.4
[M+Na-2H]- 301.133366 168.4
[M]+ 280.15815142 161.4
[M]- 280.15924858 161.4
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.