CID 708581

Spiro(cyclohexane-1,2'-benzimidazoline)

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CCC2(CC1)NC3=CC=CC=C3N2
InChI
InChI=1S/C12H16N2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7,13-14H,1,4-5,8-9H2
InChIKey
YWEQCYWQCBWFMN-UHFFFAOYSA-N
Compound name
spiro[1,3-dihydrobenzimidazole-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.13135 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 143.8
[M+Na]+ 211.12057 149.5
[M-H]- 187.12407 144.1
[M+NH4]+ 206.16517 164.0
[M+K]+ 227.09451 144.1
[M+H-H2O]+ 171.12861 136.1
[M+HCOO]- 233.12955 158.1
[M+CH3COO]- 247.14520 154.2
[M+Na-2H]- 209.10602 149.5
[M]+ 188.13080 134.3
[M]- 188.13190 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe