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

82
Patents

160.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 130.4
[M+Na]+ 183.07804 136.9
[M-H]- 159.08154 137.2
[M+NH4]+ 178.12264 146.6
[M+K]+ 199.05198 137.6
[M+H-H2O]+ 143.08608 120.4
[M+HCOO]- 205.08702 153.2
[M+CH3COO]- 219.10267 179.8
[M+Na-2H]- 181.06349 138.5
[M]+ 160.08827 137.9
[M]- 160.08937 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