CID 139597510

Ns00000981

Structural Information

Molecular Formula
C14H18O3
SMILES
C1CCC(CC1)(C(C=O)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H18O3/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14/h4-7,10,13,16-17H,1-3,8-9H2
InChIKey
VQEJEHYUPFWBTJ-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.132876 154.4
[M+Na]+ 257.114818 158.9
[M-H]- 233.118324 157.7
[M+NH4]+ 252.159423 172.2
[M+K]+ 273.088758 155.7
[M+H-H2O]+ 217.122860 148.3
[M+HCOO]- 279.123801 171.3
[M+CH3COO]- 293.139451 184.8
[M+Na-2H]- 255.100266 157.7
[M]+ 234.12505142 149.2
[M]- 234.12614858 149.2
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.