CID 53424796

2-methoxyethyl 3-aminobut-2-enoate

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(=CC(=O)OCCOC)N
InChI
InChI=1S/C7H13NO3/c1-6(8)5-7(9)11-4-3-10-2/h5H,3-4,8H2,1-2H3
InChIKey
XJOLYWNYMOPRKQ-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

159.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 135.2
[M+Na]+ 182.078758 141.3
[M-H]- 158.082264 134.9
[M+NH4]+ 177.123363 155.5
[M+K]+ 198.052698 141.5
[M+H-H2O]+ 142.086800 129.9
[M+HCOO]- 204.087741 158.2
[M+CH3COO]- 218.103391 178.8
[M+Na-2H]- 180.064206 138.3
[M]+ 159.08899142 136.4
[M]- 159.09008858 136.4
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