CID 521124

1-isopropyl-1-cyclohexene

Structural Information

Molecular Formula
C9H16
SMILES
CC(C)C1=CCCCC1
InChI
InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3
InChIKey
ZYMCVIZKLGUPBG-UHFFFAOYSA-N
Compound name
1-propan-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

719
Patents

124.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 127.7
[M+Na]+ 147.114418 132.8
[M-H]- 123.117924 130.7
[M+NH4]+ 142.159023 149.9
[M+K]+ 163.088358 132.0
[M+H-H2O]+ 107.122460 122.5
[M+HCOO]- 169.123401 148.4
[M+CH3COO]- 183.139051 173.1
[M+Na-2H]- 145.099866 132.8
[M]+ 124.12465142 124.1
[M]- 124.12574858 124.1
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