CID 25201359

Hydroxy-beta-cyclocitral

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)C=O
InChI
InChI=1S/C10H16O2/c1-7-4-8(12)5-10(2,3)9(7)6-11/h6,8,12H,4-5H2,1-3H3/t8-/m1/s1
InChIKey
SWPMTVXRLXPNDP-MRVPVSSYSA-N
Compound name
(4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

168.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 134.2
[M+Na]+ 191.10426 142.8
[M-H]- 167.10776 137.1
[M+NH4]+ 186.14886 156.9
[M+K]+ 207.07820 141.0
[M+H-H2O]+ 151.11230 130.5
[M+HCOO]- 213.11324 154.8
[M+CH3COO]- 227.12889 178.6
[M+Na-2H]- 189.08971 138.9
[M]+ 168.11449 133.5
[M]- 168.11559 133.5
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.