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]+ 204.11315 144.5
[M+Na]+ 226.09509 157.1
[M+NH4]+ 221.13969 151.8
[M+K]+ 242.06903 152.9
[M-H]- 202.09859 147.0
[M+Na-2H]- 224.08054 151.5
[M]+ 203.10532 146.8
[M]- 203.10642 146.8
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.