CID 11095124

1-phenylcyclopentane-1-carbaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC(C1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKey
KZCVVVIPPHGCOH-UHFFFAOYSA-N
Compound name
1-phenylcyclopentane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

174.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 138.5
[M+Na]+ 197.09368 145.2
[M-H]- 173.09718 145.0
[M+NH4]+ 192.13828 162.1
[M+K]+ 213.06762 142.4
[M+H-H2O]+ 157.10172 132.6
[M+HCOO]- 219.10266 162.0
[M+CH3COO]- 233.11831 177.4
[M+Na-2H]- 195.07913 144.1
[M]+ 174.10391 135.8
[M]- 174.10501 135.8
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