CID 28818867

4-[(cyclopropylamino)methyl]-n-methylbenzamide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNC(=O)C1=CC=C(C=C1)CNC2CC2
InChI
InChI=1S/C12H16N2O/c1-13-12(15)10-4-2-9(3-5-10)8-14-11-6-7-11/h2-5,11,14H,6-8H2,1H3,(H,13,15)
InChIKey
LMRIAXRUUJHEOL-UHFFFAOYSA-N
Compound name
4-[(cyclopropylamino)methyl]-N-methylbenzamide
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]+ 205.13355 141.8
[M+Na]+ 227.11549 149.2
[M-H]- 203.11899 149.3
[M+NH4]+ 222.16009 155.6
[M+K]+ 243.08943 145.7
[M+H-H2O]+ 187.12353 134.8
[M+HCOO]- 249.12447 167.5
[M+CH3COO]- 263.14012 194.0
[M+Na-2H]- 225.10094 148.0
[M]+ 204.12572 143.1
[M]- 204.12682 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.