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]+ 177.09100 139.1
[M+Na]+ 199.07294 148.7
[M-H]- 175.07644 140.2
[M+NH4]+ 194.11754 156.6
[M+K]+ 215.04688 144.9
[M+H-H2O]+ 159.08098 127.8
[M+HCOO]- 221.08192 155.5
[M+CH3COO]- 235.09757 187.4
[M+Na-2H]- 197.05839 143.0
[M]+ 176.08317 134.4
[M]- 176.08427 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.