CID 45792653

2137568-38-6

Structural Information

Molecular Formula
C11H13N3O
SMILES
CC1=CNC(=O)N1C2=CC=CC(=C2)CN
InChI
InChI=1S/C11H13N3O/c1-8-7-13-11(15)14(8)10-4-2-3-9(5-10)6-12/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKey
SNMBSCUPTPCUGN-UHFFFAOYSA-N
Compound name
3-[3-(aminomethyl)phenyl]-4-methyl-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 143.7
[M+Na]+ 226.095088 153.4
[M-H]- 202.098594 147.0
[M+NH4]+ 221.139693 161.2
[M+K]+ 242.069028 148.7
[M+H-H2O]+ 186.103130 136.0
[M+HCOO]- 248.104071 166.6
[M+CH3COO]- 262.119721 184.7
[M+Na-2H]- 224.080536 147.6
[M]+ 203.10532142 142.0
[M]- 203.10641858 142.0
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

No patent data available for this compound.