CID 13248792

3291-07-4

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=NC2=C(N1)CCCC2

InChI

InChI=1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3,(H,9,10)

InChIKey

XMLUAPAWXDNVTM-UHFFFAOYSA-N

Compound name

2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 136.10005 Da
Monoisotopic Mass: 1.5
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]+	137.107326	128.6
[M+Na]+	159.089268	136.4
[M-H]-	135.092774	128.8
[M+NH4]+	154.133873	150.0
[M+K]+	175.063208	133.5
[M+H-H2O]+	119.097310	122.0
[M+HCOO]-	181.098251	147.2
[M+CH3COO]-	195.113901	141.4
[M+Na-2H]-	157.074716	134.6
[M]+	136.09950142	124.4
[M]-	136.10059858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe