CID 14510823

1-benzylcyclopropan-1-ol

Structural Information

Molecular Formula
C10H12O
SMILES
C1CC1(CC2=CC=CC=C2)O
InChI
InChI=1S/C10H12O/c11-10(6-7-10)8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKey
ALLNPSWVFBAJIR-UHFFFAOYSA-N
Compound name
1-benzylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 134.4
[M+Na]+ 171.07804 149.0
[M+NH4]+ 166.12264 146.0
[M+K]+ 187.05198 141.5
[M-H]- 147.08154 145.2
[M+Na-2H]- 169.06349 146.8
[M]+ 148.08827 140.9
[M]- 148.08937 140.9
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