CID 117071169

2-cyclobutyl-2-phenylacetaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CC(C1)C(C=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O/c13-9-12(11-7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2
InChIKey
HRGRELLHQVYOLA-UHFFFAOYSA-N
Compound name
2-cyclobutyl-2-phenylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

174.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 134.6
[M+Na]+ 197.093678 139.4
[M-H]- 173.097184 140.7
[M+NH4]+ 192.138283 148.1
[M+K]+ 213.067618 140.3
[M+H-H2O]+ 157.101720 123.3
[M+HCOO]- 219.102661 156.0
[M+CH3COO]- 233.118311 184.0
[M+Na-2H]- 195.079126 140.0
[M]+ 174.10391142 141.5
[M]- 174.10500858 141.5
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

patents stripe