CID 15554880

14441-56-6

Structural Information

Molecular Formula
C13H16O
SMILES
C1CCC(C(C1)C=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKey
XTTBGKQTEJQTBS-UHFFFAOYSA-N
Compound name
2-phenylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.12012 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.127396 141.5
[M+Na]+ 211.109338 146.7
[M-H]- 187.112844 147.4
[M+NH4]+ 206.153943 160.8
[M+K]+ 227.083278 143.7
[M+H-H2O]+ 171.117380 134.7
[M+HCOO]- 233.118321 162.4
[M+CH3COO]- 247.133971 182.4
[M+Na-2H]- 209.094786 146.5
[M]+ 188.11957142 137.0
[M]- 188.12066858 137.0
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

patents stripe