CID 82417110

2-methyl-4,5,6,7-tetrahydro-1h-1,3-benzodiazol-5-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=NC2=C(N1)CC(CC2)O
InChI
InChI=1S/C8H12N2O/c1-5-9-7-3-2-6(11)4-8(7)10-5/h6,11H,2-4H2,1H3,(H,9,10)
InChIKey
XTTARHVPODFWRD-UHFFFAOYSA-N
Compound name
2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.9
[M+Na]+ 175.08418 142.9
[M+NH4]+ 170.12878 140.3
[M+K]+ 191.05812 139.2
[M-H]- 151.08768 132.0
[M+Na-2H]- 173.06963 135.6
[M]+ 152.09441 133.2
[M]- 152.09551 133.2
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.