CID 81562832

1803608-19-6

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

CC1=NC2=C(N1)CC(CC2)N

InChI

InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)

InChIKey

JGCNHPQMPGHGHT-UHFFFAOYSA-N

Compound name

2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.11095 Da
Monoisotopic Mass: 0.3
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]+	152.11823	132.4
[M+Na]+	174.10017	140.3
[M-H]-	150.10367	132.4
[M+NH4]+	169.14477	152.9
[M+K]+	190.07411	136.9
[M+H-H2O]+	134.10821	125.8
[M+HCOO]-	196.10915	151.4
[M+CH3COO]-	210.12480	144.8
[M+Na-2H]-	172.08562	137.2
[M]+	151.11040	126.9
[M]-	151.11150	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe