CID 708581

3190-03-2

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

7
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 144.8
[M+Na]+ 211.12057 156.0
[M+NH4]+ 206.16517 155.7
[M+K]+ 227.09451 148.5
[M-H]- 187.12407 147.1
[M+Na-2H]- 209.10602 151.4
[M]+ 188.13080 147.0
[M]- 188.13190 147.0
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