CID 13613524

55556-65-5

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)/C=C\C(=O)OC
InChI
InChI=1S/C9H14O4/c1-9(2,3)13-8(11)6-5-7(10)12-4/h5-6H,1-4H3/b6-5-
InChIKey
LEKWCGTZPGQABT-WAYWQWQTSA-N
Compound name
4-O-tert-butyl 1-O-methyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

186.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 139.5
[M+Na]+ 209.078418 146.7
[M-H]- 185.081924 140.0
[M+NH4]+ 204.123023 159.7
[M+K]+ 225.052358 147.2
[M+H-H2O]+ 169.086460 135.3
[M+HCOO]- 231.087401 160.6
[M+CH3COO]- 245.103051 180.7
[M+Na-2H]- 207.063866 143.7
[M]+ 186.08865142 143.7
[M]- 186.08974858 143.7
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