CID 3019438

Ykngwdqgrdgmss-uhfffaoysa-n

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCC(CC1)C(C)CC=CCCC=O
InChI
InChI=1S/C15H24O/c1-13-8-10-15(11-9-13)14(2)7-5-3-4-6-12-16/h3,5,8,12,14-15H,4,6-7,9-11H2,1-2H3
InChIKey
YKNGWDQGRDGMSS-UHFFFAOYSA-N
Compound name
7-(4-methylcyclohex-3-en-1-yl)oct-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 155.4
[M+Na]+ 243.171928 159.5
[M-H]- 219.175434 157.7
[M+NH4]+ 238.216533 173.9
[M+K]+ 259.145868 156.4
[M+H-H2O]+ 203.179970 149.2
[M+HCOO]- 265.180911 174.7
[M+CH3COO]- 279.196561 191.8
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 154.3
[M]- 220.18325858 154.3
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.