CID 11126537

Cyclopropanol, 1-(phenylethynyl)-

Structural Information

Molecular Formula
C11H10O
SMILES
C1CC1(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C11H10O/c12-11(8-9-11)7-6-10-4-2-1-3-5-10/h1-5,12H,8-9H2
InChIKey
AHBCFDIWEGOLMV-UHFFFAOYSA-N
Compound name
1-(2-phenylethynyl)cyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

158.07317 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 132.9
[M+Na]+ 181.06239 149.1
[M-H]- 157.06589 139.7
[M+NH4]+ 176.10699 150.2
[M+K]+ 197.03633 141.2
[M+H-H2O]+ 141.07043 124.6
[M+HCOO]- 203.07137 152.3
[M+CH3COO]- 217.08702 146.7
[M+Na-2H]- 179.04784 141.8
[M]+ 158.07262 130.5
[M]- 158.07372 130.5
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