CID 2760942

849020-90-2

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(=O)N(C)C1=CC=CC(=C1)CN
InChI
InChI=1S/C10H14N2O/c1-8(13)12(2)10-5-3-4-9(6-10)7-11/h3-6H,7,11H2,1-2H3
InChIKey
DPMYETDSKOTDPX-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

178.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.117886 139.6
[M+Na]+ 201.099828 146.1
[M-H]- 177.103334 144.4
[M+NH4]+ 196.144433 159.7
[M+K]+ 217.073768 145.3
[M+H-H2O]+ 161.107870 133.1
[M+HCOO]- 223.108811 165.2
[M+CH3COO]- 237.124461 189.4
[M+Na-2H]- 199.085276 144.0
[M]+ 178.11006142 139.0
[M]- 178.11115858 139.0
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