CID 28369448

4-[(cyclopropylamino)methyl]benzamide hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

literature stripe

Patent stripe

patents stripe