CID 20839093

32569-21-4

Structural Information

Molecular Formula
C9H14O5
SMILES
CC(C)OC(=O)/C=C\C(=O)OCCO
InChI
InChI=1S/C9H14O5/c1-7(2)14-9(12)4-3-8(11)13-6-5-10/h3-4,7,10H,5-6H2,1-2H3/b4-3-
InChIKey
HTZHJLUKEIMVLC-ARJAWSKDSA-N
Compound name
1-O-(2-hydroxyethyl) 4-O-propan-2-yl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

202.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.091396 144.1
[M+Na]+ 225.073338 149.9
[M-H]- 201.076844 142.7
[M+NH4]+ 220.117943 162.4
[M+K]+ 241.047278 150.1
[M+H-H2O]+ 185.081380 139.0
[M+HCOO]- 247.082321 164.3
[M+CH3COO]- 261.097971 181.5
[M+Na-2H]- 223.058786 145.5
[M]+ 202.08357142 147.6
[M]- 202.08466858 147.6
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