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]+ 125.132476 127.0
[M+Na]+ 147.114418 133.2
[M-H]- 123.117924 130.3
[M+NH4]+ 142.159023 151.3
[M+K]+ 163.088358 132.2
[M+H-H2O]+ 107.122460 122.5
[M+HCOO]- 169.123401 148.7
[M+CH3COO]- 183.139051 171.8
[M+Na-2H]- 145.099866 134.4
[M]+ 124.12465142 124.3
[M]- 124.12574858 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.