CID 75525888

[4-(but-3-yn-2-yloxy)phenyl]methanol

Structural Information

Molecular Formula
C11H12O2
SMILES
CC(C#C)OC1=CC=C(C=C1)CO
InChI
InChI=1S/C11H12O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h1,4-7,9,12H,8H2,2H3
InChIKey
QNQCTTCIVXSJLP-UHFFFAOYSA-N
Compound name
(4-but-3-yn-2-yloxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 139.1
[M+Na]+ 199.072938 148.7
[M-H]- 175.076444 140.2
[M+NH4]+ 194.117543 156.6
[M+K]+ 215.046878 144.9
[M+H-H2O]+ 159.080980 127.8
[M+HCOO]- 221.081921 155.5
[M+CH3COO]- 235.097571 187.4
[M+Na-2H]- 197.058386 143.0
[M]+ 176.08317142 134.4
[M]- 176.08426858 134.4
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.