CID 12236048

1-phenylcyclopropan-1-ol

Structural Information

Molecular Formula
C9H10O
SMILES
C1CC1(C2=CC=CC=C2)O
InChI
InChI=1S/C9H10O/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
NZSQYBUQMZYZPK-UHFFFAOYSA-N
Compound name
1-phenylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

134.07317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.080446 125.2
[M+Na]+ 157.062388 134.9
[M-H]- 133.065894 132.1
[M+NH4]+ 152.106993 143.5
[M+K]+ 173.036328 133.0
[M+H-H2O]+ 117.070430 120.2
[M+HCOO]- 179.071371 148.9
[M+CH3COO]- 193.087021 172.7
[M+Na-2H]- 155.047836 134.6
[M]+ 134.07262142 126.3
[M]- 134.07371858 126.3
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