CID 134691039

4-phenylcycloheptane-1-carbaldehyde

Structural Information

Molecular Formula
C14H18O
SMILES
C1CC(CCC(C1)C2=CC=CC=C2)C=O
InChI
InChI=1S/C14H18O/c15-11-12-5-4-8-14(10-9-12)13-6-2-1-3-7-13/h1-3,6-7,11-12,14H,4-5,8-10H2
InChIKey
XXWXMGTZEJWPGT-UHFFFAOYSA-N
Compound name
4-phenylcycloheptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 143.2
[M+Na]+ 225.12499 146.3
[M-H]- 201.12849 149.8
[M+NH4]+ 220.16959 160.7
[M+K]+ 241.09893 147.4
[M+H-H2O]+ 185.13303 137.8
[M+HCOO]- 247.13397 163.0
[M+CH3COO]- 261.14962 187.0
[M+Na-2H]- 223.11044 147.3
[M]+ 202.13522 136.2
[M]- 202.13632 136.2
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.