CID 5371699

Methyl 4,4-dimethoxybut-2-enoate

Structural Information

Molecular Formula
C7H12O4
SMILES
COC(/C=C/C(=O)OC)OC
InChI
InChI=1S/C7H12O4/c1-9-6(8)4-5-7(10-2)11-3/h4-5,7H,1-3H3/b5-4+
InChIKey
CWHHPNNHJKOQQV-SNAWJCMRSA-N
Compound name
methyl (E)-4,4-dimethoxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

160.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 132.7
[M+Na]+ 183.062778 139.7
[M-H]- 159.066284 133.0
[M+NH4]+ 178.107383 153.6
[M+K]+ 199.036718 140.9
[M+H-H2O]+ 143.070820 127.9
[M+HCOO]- 205.071761 155.6
[M+CH3COO]- 219.087411 176.7
[M+Na-2H]- 181.048226 136.9
[M]+ 160.07301142 137.4
[M]- 160.07410858 137.4
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