CID 109225

1,2-butanediol, 2-butoxy-, 1-acetate

Structural Information

Molecular Formula
C10H20O4
SMILES
CCCCOC(CC)(COC(=O)C)O
InChI
InChI=1S/C10H20O4/c1-4-6-7-14-10(12,5-2)8-13-9(3)11/h12H,4-8H2,1-3H3
InChIKey
WDPBWUHDTQEFIQ-UHFFFAOYSA-N
Compound name
(2-butoxy-2-hydroxybutyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.13615 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.143426 148.4
[M+Na]+ 227.125368 154.0
[M-H]- 203.128874 146.9
[M+NH4]+ 222.169973 167.0
[M+K]+ 243.099308 154.0
[M+H-H2O]+ 187.133410 143.7
[M+HCOO]- 249.134351 168.0
[M+CH3COO]- 263.150001 184.1
[M+Na-2H]- 225.110816 152.4
[M]+ 204.13560142 153.2
[M]- 204.13669858 153.2
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.