CID 3085893

Cyclohexene, 4-(diethoxymethyl)dimethyl-

Structural Information

Molecular Formula
C9H16
SMILES
CC[C@@]1(CCC=CC1)C
InChI
InChI=1S/C9H16/c1-3-9(2)7-5-4-6-8-9/h4-5H,3,6-8H2,1-2H3/t9-/m0/s1
InChIKey
RTMAFJOMBKRXCH-VIFPVBQESA-N
Compound name
(4R)-4-ethyl-4-methylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.1252 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 127.0
[M+Na]+ 147.11442 133.2
[M-H]- 123.11792 130.3
[M+NH4]+ 142.15902 151.3
[M+K]+ 163.08836 132.2
[M+H-H2O]+ 107.12246 122.5
[M+HCOO]- 169.12340 148.7
[M+CH3COO]- 183.13905 171.8
[M+Na-2H]- 145.09987 134.4
[M]+ 124.12465 124.3
[M]- 124.12575 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.