CID 22413928

2375269-62-6

Structural Information

Molecular Formula
C10H14N2O
SMILES
CC(=O)NC1=CC=CC(=C1)CNC
InChI
InChI=1S/C10H14N2O/c1-8(13)12-10-5-3-4-9(6-10)7-11-2/h3-6,11H,7H2,1-2H3,(H,12,13)
InChIKey
RLAGGQJBJWMNPZ-UHFFFAOYSA-N
Compound name
N-[3-(methylaminomethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.11061 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 139.0
[M+Na]+ 201.09983 145.3
[M-H]- 177.10333 142.7
[M+NH4]+ 196.14443 158.6
[M+K]+ 217.07377 143.4
[M+H-H2O]+ 161.10787 132.6
[M+HCOO]- 223.10881 164.7
[M+CH3COO]- 237.12446 186.6
[M+Na-2H]- 199.08528 145.3
[M]+ 178.11006 138.1
[M]- 178.11116 138.1
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

patents stripe