CID 109170

3-cyclohexene-1-carboxaldehyde, 3,5-dimethyl-6-propyl-

Structural Information

Molecular Formula
C12H20O
SMILES
CCCC1C(C=C(CC1C=O)C)C
InChI
InChI=1S/C12H20O/c1-4-5-12-10(3)6-9(2)7-11(12)8-13/h6,8,10-12H,4-5,7H2,1-3H3
InChIKey
APHMNJONLCSFTD-UHFFFAOYSA-N
Compound name
3,5-dimethyl-6-propylcyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 140.7
[M+Na]+ 203.140628 148.0
[M-H]- 179.144134 144.3
[M+NH4]+ 198.185233 161.6
[M+K]+ 219.114568 145.9
[M+H-H2O]+ 163.148670 135.6
[M+HCOO]- 225.149611 161.9
[M+CH3COO]- 239.165261 185.7
[M+Na-2H]- 201.126076 143.5
[M]+ 180.15086142 140.9
[M]- 180.15195858 140.9
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

patents stripe