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]+ 187.09648 139.5
[M+Na]+ 209.07842 146.7
[M-H]- 185.08192 140.0
[M+NH4]+ 204.12302 159.7
[M+K]+ 225.05236 147.2
[M+H-H2O]+ 169.08646 135.3
[M+HCOO]- 231.08740 160.6
[M+CH3COO]- 245.10305 180.7
[M+Na-2H]- 207.06387 143.7
[M]+ 186.08865 143.7
[M]- 186.08975 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