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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 152.2
[M+Na]+ 253.13112 161.1
[M-H]- 229.13462 157.8
[M+NH4]+ 248.17572 169.3
[M+K]+ 269.10506 158.1
[M+H-H2O]+ 213.13916 144.0
[M+HCOO]- 275.14010 170.9
[M+CH3COO]- 289.15575 164.8
[M+Na-2H]- 251.11657 156.7
[M]+ 230.14135 152.1
[M]- 230.14245 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.