CID 24692745

3-[(cyclopropylamino)methyl]benzamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CC1NCC2=CC(=CC=C2)C(=O)N
InChI
InChI=1S/C11H14N2O/c12-11(14)9-3-1-2-8(6-9)7-13-10-4-5-10/h1-3,6,10,13H,4-5,7H2,(H2,12,14)
InChIKey
UHOFEWXXDYXBPL-UHFFFAOYSA-N
Compound name
3-[(cyclopropylamino)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 137.0
[M+Na]+ 213.09983 144.9
[M-H]- 189.10333 144.2
[M+NH4]+ 208.14443 151.1
[M+K]+ 229.07377 141.2
[M+H-H2O]+ 173.10787 130.3
[M+HCOO]- 235.10881 162.5
[M+CH3COO]- 249.12446 191.1
[M+Na-2H]- 211.08528 142.8
[M]+ 190.11006 137.1
[M]- 190.11116 137.1
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.