CID 145913846

4-(1-ethynylcyclopropyl)phenol

Structural Information

Molecular Formula
C11H10O
SMILES
C#CC1(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C11H10O/c1-2-11(7-8-11)9-3-5-10(12)6-4-9/h1,3-6,12H,7-8H2
InChIKey
NKOUVERQWQNHFO-UHFFFAOYSA-N
Compound name
4-(1-ethynylcyclopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 135.3
[M+Na]+ 181.06239 149.4
[M+NH4]+ 176.10699 142.7
[M+K]+ 197.03633 139.7
[M-H]- 157.06589 137.2
[M+Na-2H]- 179.04784 143.8
[M]+ 158.07262 138.3
[M]- 158.07372 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.