CID 11008055

1-phenylcyclopropanecarbaldehyde

Structural Information

Molecular Formula
C10H10O
SMILES
C1CC1(C=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
SMYKJEFTTNCUSN-UHFFFAOYSA-N
Compound name
1-phenylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

146.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 134.0
[M+Na]+ 169.06239 149.1
[M+NH4]+ 164.10699 145.6
[M+K]+ 185.03633 141.1
[M-H]- 145.06589 144.9
[M+Na-2H]- 167.04784 146.8
[M]+ 146.07262 140.6
[M]- 146.07372 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe