CID 10866391

1837-49-6

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CN1C=NC2=C1CCCC2

InChI

InChI=1S/C8H12N2/c1-10-6-9-7-4-2-3-5-8(7)10/h6H,2-5H2,1H3

InChIKey

OBEFWOVHXQTYJK-UHFFFAOYSA-N

Compound name

1-methyl-4,5,6,7-tetrahydrobenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 136.10005 Da
Monoisotopic Mass: 1.1
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]+	137.10733	127.9
[M+Na]+	159.08927	136.1
[M-H]-	135.09277	129.5
[M+NH4]+	154.13387	150.0
[M+K]+	175.06321	134.2
[M+H-H2O]+	119.09731	121.0
[M+HCOO]-	181.09825	148.0
[M+CH3COO]-	195.11390	141.4
[M+Na-2H]-	157.07472	134.4
[M]+	136.09950	125.5
[M]-	136.10060	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe