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]+ 175.11174 143.2
[M+Na]+ 197.09368 153.1
[M-H]- 173.09718 144.5
[M+NH4]+ 192.13828 161.1
[M+K]+ 213.06762 148.7
[M+H-H2O]+ 157.10172 132.4
[M+HCOO]- 219.10266 158.6
[M+CH3COO]- 233.11831 187.3
[M+Na-2H]- 195.07913 148.0
[M]+ 174.10391 137.6
[M]- 174.10501 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.