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

1
Patents

152.09496 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.4
[M+Na]+ 175.084178 140.6
[M-H]- 151.087684 131.6
[M+NH4]+ 170.128783 152.7
[M+K]+ 191.058118 137.3
[M+H-H2O]+ 135.092220 126.3
[M+HCOO]- 197.093161 149.6
[M+CH3COO]- 211.108811 144.7
[M+Na-2H]- 173.069626 137.2
[M]+ 152.09441142 128.1
[M]- 152.09550858 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

patents stripe