CID 317540

(2-phenylcyclopropyl)methanol

Structural Information

Molecular Formula
C10H12O
SMILES
C1C(C1C2=CC=CC=C2)CO
InChI
InChI=1S/C10H12O/c11-7-9-6-10(9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2
InChIKey
CEZOORGGKZLLAO-UHFFFAOYSA-N
Compound name
(2-phenylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

114
Patents

148.08882 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 132.0
[M+Na]+ 171.07804 146.7
[M+NH4]+ 166.12264 142.2
[M+K]+ 187.05198 141.0
[M-H]- 147.08154 142.6
[M+Na-2H]- 169.06349 142.9
[M]+ 148.08827 138.3
[M]- 148.08937 138.3
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