CID 82418460

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

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CC2=C(CC1O)NC=N2

InChI

InChI=1S/C7H10N2O/c10-5-1-2-6-7(3-5)9-4-8-6/h4-5,10H,1-3H2,(H,8,9)

InChIKey

UBGFAVGDVCIHSN-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-3H-benzimidazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.07932 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	139.08660	127.6
[M+Na]+	161.06854	135.3
[M-H]-	137.07204	126.6
[M+NH4]+	156.11314	148.1
[M+K]+	177.04248	132.2
[M+H-H2O]+	121.07658	121.4
[M+HCOO]-	183.07752	145.2
[M+CH3COO]-	197.09317	140.0
[M+Na-2H]-	159.05399	133.7
[M]+	138.07877	122.6
[M]-	138.07987	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe