CID 145913137

4-(2-methylpent-3-yn-2-yl)phenol

Structural Information

Molecular Formula
C12H14O
SMILES
CC#CC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C12H14O/c1-4-9-12(2,3)10-5-7-11(13)8-6-10/h5-8,13H,1-3H3
InChIKey
GDYPHTGICPZEEB-UHFFFAOYSA-N
Compound name
4-(2-methylpent-3-yn-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 143.2
[M+Na]+ 197.093678 153.1
[M-H]- 173.097184 144.5
[M+NH4]+ 192.138283 161.1
[M+K]+ 213.067618 148.7
[M+H-H2O]+ 157.101720 132.4
[M+HCOO]- 219.102661 158.6
[M+CH3COO]- 233.118311 187.3
[M+Na-2H]- 195.079126 148.0
[M]+ 174.10391142 137.6
[M]- 174.10500858 137.6
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.