CID 141725

Cyclohexane, cyclopropyl-

Structural Information

Molecular Formula
C9H16
SMILES
C1CCC(CC1)C2CC2
InChI
InChI=1S/C9H16/c1-2-4-8(5-3-1)9-6-7-9/h8-9H,1-7H2
InChIKey
WVCCJPYDXBIIIJ-UHFFFAOYSA-N
Compound name
cyclopropylcyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

280
Patents

124.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 126.4
[M+Na]+ 147.11442 132.7
[M-H]- 123.11792 133.2
[M+NH4]+ 142.15902 143.5
[M+K]+ 163.08836 131.4
[M+H-H2O]+ 107.12246 120.1
[M+HCOO]- 169.12340 147.3
[M+CH3COO]- 183.13905 174.9
[M+Na-2H]- 145.09987 132.4
[M]+ 124.12465 123.3
[M]- 124.12575 123.3
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