CID 11137305

1-(4-methylphenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=CC=C(C=C1)C(C#C)O
InChI
InChI=1S/C10H10O/c1-3-10(11)9-6-4-8(2)5-7-9/h1,4-7,10-11H,2H3
InChIKey
QNRVVPCYHOFMFO-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

146.07317 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 132.5
[M+Na]+ 169.06239 142.6
[M-H]- 145.06589 133.8
[M+NH4]+ 164.10699 151.1
[M+K]+ 185.03633 138.5
[M+H-H2O]+ 129.07043 121.6
[M+HCOO]- 191.07137 149.0
[M+CH3COO]- 205.08702 182.9
[M+Na-2H]- 167.04784 136.9
[M]+ 146.07262 126.2
[M]- 146.07372 126.2
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