CID 14871262

2-cyclopropyl-2-phenylacetaldehyde

Structural Information

Molecular Formula
C11H12O
SMILES
C1CC1C(C=O)C2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-8-11(10-6-7-10)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey
OTUUNQCLWRFRSL-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-phenylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

160.08882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 132.1
[M+Na]+ 183.07804 140.6
[M-H]- 159.08154 139.6
[M+NH4]+ 178.12264 147.9
[M+K]+ 199.05198 138.1
[M+H-H2O]+ 143.08608 125.5
[M+HCOO]- 205.08702 156.1
[M+CH3COO]- 219.10267 181.4
[M+Na-2H]- 181.06349 138.7
[M]+ 160.08827 133.9
[M]- 160.08937 133.9
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