CID 50989737

2-(3-aminopyrrolidin-1-yl)benzamide

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CC1N)C2=CC=CC=C2C(=O)N
InChI
InChI=1S/C11H15N3O/c12-8-5-6-14(7-8)10-4-2-1-3-9(10)11(13)15/h1-4,8H,5-7,12H2,(H2,13,15)
InChIKey
LDZLPGWWCXDXFH-UHFFFAOYSA-N
Compound name
2-(3-aminopyrrolidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.128776 145.5
[M+Na]+ 228.110718 151.3
[M-H]- 204.114224 149.9
[M+NH4]+ 223.155323 163.6
[M+K]+ 244.084658 148.3
[M+H-H2O]+ 188.118760 137.9
[M+HCOO]- 250.119701 167.7
[M+CH3COO]- 264.135351 189.2
[M+Na-2H]- 226.096166 146.9
[M]+ 205.12095142 139.4
[M]- 205.12204858 139.4
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

patents stripe