CID 388074

Nsc682537

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3CCCO3

InChI

InChI=1S/C13H16N2O/c1-9-6-11-12(7-10(9)2)15(8-14-11)13-4-3-5-16-13/h6-8,13H,3-5H2,1-2H3

InChIKey

FSRRNQVQTHCLOS-UHFFFAOYSA-N

Compound name

5,6-dimethyl-1-(oxolan-2-yl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 216.12627 Da
Monoisotopic Mass: 2.6
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]+	217.13355	147.2
[M+Na]+	239.11549	157.5
[M-H]-	215.11899	153.7
[M+NH4]+	234.16009	166.9
[M+K]+	255.08943	155.0
[M+H-H2O]+	199.12353	140.3
[M+HCOO]-	261.12447	168.6
[M+CH3COO]-	275.14012	161.1
[M+Na-2H]-	237.10094	150.6
[M]+	216.12572	149.2
[M]-	216.12682	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe