CID 15184634

3-(3-methoxyphenyl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C10H10O2
SMILES
COC1=CC=CC(=C1)C#CCO
InChI
InChI=1S/C10H10O2/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8,11H,7H2,1H3
InChIKey
SGDGRPDGRFOQJL-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

162.06808 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 134.6
[M+Na]+ 185.05730 145.0
[M-H]- 161.06080 135.8
[M+NH4]+ 180.10190 152.8
[M+K]+ 201.03124 141.0
[M+H-H2O]+ 145.06534 123.4
[M+HCOO]- 207.06628 152.2
[M+CH3COO]- 221.08193 182.8
[M+Na-2H]- 183.04275 140.1
[M]+ 162.06753 130.0
[M]- 162.06863 130.0
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

patents stripe