CID 154815171

(5-ethynyl-2-methylphenyl)methanol

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=C(C=C(C=C1)C#C)CO
InChI
InChI=1S/C10H10O/c1-3-9-5-4-8(2)10(6-9)7-11/h1,4-6,11H,7H2,2H3
InChIKey
UTROJBQYUTZOTR-UHFFFAOYSA-N
Compound name
(5-ethynyl-2-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.07317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 130.6
[M+Na]+ 169.06239 141.8
[M-H]- 145.06589 132.2
[M+NH4]+ 164.10699 149.6
[M+K]+ 185.03633 137.4
[M+H-H2O]+ 129.07043 120.0
[M+HCOO]- 191.07137 148.1
[M+CH3COO]- 205.08702 183.2
[M+Na-2H]- 167.04784 135.7
[M]+ 146.07262 125.3
[M]- 146.07372 125.3
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.