CID 2735078

2-methoxy-3-buten-1-ol

Structural Information

Molecular Formula
C5H10O2
SMILES
COC(CO)C=C
InChI
InChI=1S/C5H10O2/c1-3-5(4-6)7-2/h3,5-6H,1,4H2,2H3
InChIKey
CWSWWBPJNKCKBO-UHFFFAOYSA-N
Compound name
2-methoxybut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

102.06808 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 119.8
[M+Na]+ 125.057298 127.1
[M-H]- 101.060804 118.9
[M+NH4]+ 120.101903 142.3
[M+K]+ 141.031238 127.0
[M+H-H2O]+ 85.065340 115.8
[M+HCOO]- 147.066281 142.1
[M+CH3COO]- 161.081931 165.3
[M+Na-2H]- 123.042746 125.7
[M]+ 102.06753142 120.3
[M]- 102.06862858 120.3
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