CID 12323029

(1s,2s)-2-phenylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C10H10O
SMILES
C1[C@@H]([C@H]1C2=CC=CC=C2)C=O
InChI
InChI=1S/C10H10O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/t9-,10-/m1/s1
InChIKey
TYJRXMZXDBSURR-NXEZZACHSA-N
Compound name
(1S,2S)-2-phenylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

146.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 127.6
[M+Na]+ 169.06239 137.7
[M-H]- 145.06589 135.6
[M+NH4]+ 164.10699 144.4
[M+K]+ 185.03633 135.0
[M+H-H2O]+ 129.07043 121.4
[M+HCOO]- 191.07137 152.8
[M+CH3COO]- 205.08702 178.7
[M+Na-2H]- 167.04784 135.3
[M]+ 146.07262 130.1
[M]- 146.07372 130.1
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