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

4
Patents

174.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 134.6
[M+Na]+ 197.09368 139.4
[M-H]- 173.09718 140.7
[M+NH4]+ 192.13828 148.1
[M+K]+ 213.06762 140.3
[M+H-H2O]+ 157.10172 123.3
[M+HCOO]- 219.10266 156.0
[M+CH3COO]- 233.11831 184.0
[M+Na-2H]- 195.07913 140.0
[M]+ 174.10391 141.5
[M]- 174.10501 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