CID 130124661

2-methoxybut-3-yn-1-ol

Structural Information

Molecular Formula
C5H8O2
SMILES
COC(CO)C#C
InChI
InChI=1S/C5H8O2/c1-3-5(4-6)7-2/h1,5-6H,4H2,2H3
InChIKey
YBQIEEWXHQRIRN-UHFFFAOYSA-N
Compound name
2-methoxybut-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 117.4
[M+Na]+ 123.04165 126.9
[M-H]- 99.045154 116.3
[M+NH4]+ 118.08625 137.7
[M+K]+ 139.01559 126.3
[M+H-H2O]+ 83.049690 107.6
[M+HCOO]- 145.05063 134.3
[M+CH3COO]- 159.06628 174.5
[M+Na-2H]- 121.02710 123.0
[M]+ 100.05188 112.9
[M]- 100.05298 112.9
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.