CID 3023974

Lrysdmsjoloipw-uhfffaoysa-n

Structural Information

Molecular Formula
C13H22O
SMILES
CCC1CC(CC(C1)CC=CC=O)C
InChI
InChI=1S/C13H22O/c1-3-12-8-11(2)9-13(10-12)6-4-5-7-14/h4-5,7,11-13H,3,6,8-10H2,1-2H3
InChIKey
LRYSDMSJOLOIPW-UHFFFAOYSA-N
Compound name
4-(3-ethyl-5-methylcyclohexyl)but-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 147.0
[M+Na]+ 217.156288 152.1
[M-H]- 193.159794 149.6
[M+NH4]+ 212.200893 166.8
[M+K]+ 233.130228 149.3
[M+H-H2O]+ 177.164330 141.4
[M+HCOO]- 239.165271 166.5
[M+CH3COO]- 253.180921 186.5
[M+Na-2H]- 215.141736 148.8
[M]+ 194.16652142 144.8
[M]- 194.16761858 144.8
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.