CID 3019959

3,5,5-trimethylcyclohex-2-ene-1-carbaldehyde

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CC(CC(C1)(C)C)C=O
InChI
InChI=1S/C10H16O/c1-8-4-9(7-11)6-10(2,3)5-8/h4,7,9H,5-6H2,1-3H3
InChIKey
YONAHFYUNJWCOX-UHFFFAOYSA-N
Compound name
3,5,5-trimethylcyclohex-2-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 131.0
[M+Na]+ 175.109338 139.1
[M-H]- 151.112844 135.0
[M+NH4]+ 170.153943 154.8
[M+K]+ 191.083278 137.7
[M+H-H2O]+ 135.117380 126.8
[M+HCOO]- 197.118321 152.9
[M+CH3COO]- 211.133971 178.1
[M+Na-2H]- 173.094786 136.7
[M]+ 152.11957142 130.3
[M]- 152.12066858 130.3
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

patents stripe