CID 28818873

N-cyclopropyl-4-[(methylamino)methyl]benzamide hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNCC1=CC=C(C=C1)C(=O)NC2CC2
InChI
InChI=1S/C12H16N2O/c1-13-8-9-2-4-10(5-3-9)12(15)14-11-6-7-11/h2-5,11,13H,6-8H2,1H3,(H,14,15)
InChIKey
FNFIZADIGKZVNO-UHFFFAOYSA-N
Compound name
N-cyclopropyl-4-(methylaminomethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 141.8
[M+Na]+ 227.115488 149.2
[M-H]- 203.118994 149.3
[M+NH4]+ 222.160093 155.6
[M+K]+ 243.089428 145.7
[M+H-H2O]+ 187.123530 134.8
[M+HCOO]- 249.124471 167.5
[M+CH3COO]- 263.140121 194.0
[M+Na-2H]- 225.100936 148.0
[M]+ 204.12572142 143.1
[M]- 204.12681858 143.1
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.