CID 175328

72939-53-8

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(C=C1C=CCCC1C=O)O
InChI
InChI=1S/C11H16O2/c1-11(2,13)7-9-5-3-4-6-10(9)8-12/h3,5,7-8,10,13H,4,6H2,1-2H3
InChIKey
GWKHZXGRPBDDKT-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.3
[M+Na]+ 203.10426 151.8
[M+NH4]+ 198.14886 148.9
[M+K]+ 219.07820 146.2
[M-H]- 179.10776 141.7
[M+Na-2H]- 201.08971 145.7
[M]+ 180.11449 142.7
[M]- 180.11559 142.7
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.