CID 5705746

Tert-butyl hydrogen maleate

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(C)(C)OC(=O)/C=C\C(=O)O
InChI
InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4-
InChIKey
BAXKSCVINAKVNE-PLNGDYQASA-N
Compound name
(Z)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1302
Patents

172.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 135.7
[M+Na]+ 195.062778 142.8
[M-H]- 171.066284 134.9
[M+NH4]+ 190.107383 155.5
[M+K]+ 211.036718 142.6
[M+H-H2O]+ 155.070820 131.8
[M+HCOO]- 217.071761 155.5
[M+CH3COO]- 231.087411 175.7
[M+Na-2H]- 193.048226 139.7
[M]+ 172.07301142 137.6
[M]- 172.07410858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe