CID 13478905

1,3,4,5,6,7-hexahydro-benzoimidazol-2-one

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CCC2=C(C1)NC(=O)N2
InChI
InChI=1S/C7H10N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H2,(H2,8,9,10)
InChIKey
KITZBYBFZNVHFR-UHFFFAOYSA-N
Compound name
1,3,4,5,6,7-hexahydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.086596 127.1
[M+Na]+ 161.068538 135.1
[M-H]- 137.072044 126.0
[M+NH4]+ 156.113143 147.5
[M+K]+ 177.042478 131.4
[M+H-H2O]+ 121.076580 120.9
[M+HCOO]- 183.077521 144.9
[M+CH3COO]- 197.093171 139.5
[M+Na-2H]- 159.053986 133.1
[M]+ 138.07877142 121.4
[M]- 138.07986858 121.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe