CID 388075

Nsc682538

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3CCCCO3

InChI

InChI=1S/C14H18N2O/c1-10-7-12-13(8-11(10)2)16(9-15-12)14-5-3-4-6-17-14/h7-9,14H,3-6H2,1-2H3

InChIKey

ASIWCDIGTQZVDE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.1419 Da
Monoisotopic Mass: 2.9
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]+	231.149176	152.2
[M+Na]+	253.131118	161.1
[M-H]-	229.134624	157.8
[M+NH4]+	248.175723	169.3
[M+K]+	269.105058	158.1
[M+H-H2O]+	213.139160	144.0
[M+HCOO]-	275.140101	170.9
[M+CH3COO]-	289.155751	164.8
[M+Na-2H]-	251.116566	156.7
[M]+	230.14135142	152.1
[M]-	230.14244858	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe