CID 175282

72927-97-0

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(C=C1CC(CC=C1)C=O)O
InChI
InChI=1S/C11H16O2/c1-11(2,13)7-9-4-3-5-10(6-9)8-12/h3-4,7-8,10,13H,5-6H2,1-2H3
InChIKey
HZHOPLNHGZJIDX-UHFFFAOYSA-N
Compound name
5-(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

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.3
[M+Na]+ 203.10426 146.5
[M-H]- 179.10776 142.2
[M+NH4]+ 198.14886 159.9
[M+K]+ 219.07820 143.9
[M+H-H2O]+ 163.11230 135.6
[M+HCOO]- 225.11324 159.2
[M+CH3COO]- 239.12889 178.5
[M+Na-2H]- 201.08971 145.2
[M]+ 180.11449 137.6
[M]- 180.11559 137.6
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.