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]+ 281.16598 165.6
[M+Na]+ 303.14792 170.8
[M-H]- 279.15142 168.0
[M+NH4]+ 298.19252 182.9
[M+K]+ 319.12186 167.6
[M+H-H2O]+ 263.15596 158.2
[M+HCOO]- 325.15690 182.9
[M+CH3COO]- 339.17255 196.4
[M+Na-2H]- 301.13337 168.4
[M]+ 280.15815 161.4
[M]- 280.15925 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.