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 132.4
[M+Na]+ 175.08418 140.6
[M-H]- 151.08768 131.6
[M+NH4]+ 170.12878 152.7
[M+K]+ 191.05812 137.3
[M+H-H2O]+ 135.09222 126.3
[M+HCOO]- 197.09316 149.6
[M+CH3COO]- 211.10881 144.7
[M+Na-2H]- 173.06963 137.2
[M]+ 152.09441 128.1
[M]- 152.09551 128.1
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

No patent data available for this compound.