CID 5365124

18305-60-7

Structural Information

Molecular Formula
C12H20O4
SMILES
CC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InChIKey
MSVGHYYKWDQHFV-FPLPWBNLSA-N
Compound name
ditert-butyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
Patents

228.13615 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.143426 151.7
[M+Na]+ 251.125368 158.3
[M-H]- 227.128874 152.1
[M+NH4]+ 246.169973 170.5
[M+K]+ 267.099308 158.5
[M+H-H2O]+ 211.133410 147.9
[M+HCOO]- 273.134351 170.4
[M+CH3COO]- 287.150001 189.4
[M+Na-2H]- 249.110816 155.5
[M]+ 228.13560142 156.6
[M]- 228.13669858 156.6
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