CID 12226107

1-phenylcyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC(C1)(C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKey
ZCECDJPMXUAMJE-UHFFFAOYSA-N
Compound name
1-phenylcyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

160.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.096096 130.4
[M+Na]+ 183.078038 136.9
[M-H]- 159.081544 137.2
[M+NH4]+ 178.122643 146.6
[M+K]+ 199.051978 137.6
[M+H-H2O]+ 143.086080 120.4
[M+HCOO]- 205.087021 153.2
[M+CH3COO]- 219.102671 179.8
[M+Na-2H]- 181.063486 138.5
[M]+ 160.08827142 137.9
[M]- 160.08936858 137.9
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