CID 6450823

Cipralisant

Structural Information

Molecular Formula
C14H20N2
SMILES
CC(C)(C)CCC#C[C@@H]1C[C@H]1C2=CN=CN2
InChI
InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
InChIKey
CVKJAXCQPFOAIN-VXGBXAGGSA-N
Compound name
5-[(1R,2R)-2-(5,5-dimethylhex-1-ynyl)cyclopropyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

341
Patents

216.16264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.3
[M+Na]+ 239.15186 166.7
[M-H]- 215.15536 155.2
[M+NH4]+ 234.19646 164.9
[M+K]+ 255.12580 157.9
[M+H-H2O]+ 199.15990 141.1
[M+HCOO]- 261.16084 167.2
[M+CH3COO]- 275.17649 196.0
[M+Na-2H]- 237.13731 155.9
[M]+ 216.16209 150.0
[M]- 216.16319 150.0
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