CID 16218266

1,3-di-tert-butylbenzimidazolium chloride

Structural Information

Molecular Formula
C15H23N2
SMILES
CC(C)(C)N1C=[N+](C2=CC=CC=C21)C(C)(C)C
InChI
InChI=1S/C15H23N2/c1-14(2,3)16-11-17(15(4,5)6)13-10-8-7-9-12(13)16/h7-11H,1-6H3/q+1
InChIKey
JKGSEHLUSOGKOO-UHFFFAOYSA-N
Compound name
1,3-ditert-butylbenzimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

231.18613 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19341 157.8
[M+Na]+ 254.17535 167.9
[M-H]- 230.17885 161.0
[M+NH4]+ 249.21995 177.0
[M+K]+ 270.14929 159.2
[M+H-H2O]+ 214.18339 154.4
[M+HCOO]- 276.18433 176.4
[M+CH3COO]- 290.19998 187.1
[M+Na-2H]- 252.16080 167.3
[M]+ 231.18558 160.2
[M]- 231.18668 160.2
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

patents stripe