CID 79457344

2-(2-{[(prop-2-en-1-yloxy)carbonyl]amino}ethoxy)acetic acid

Structural Information

Molecular Formula
C8H13NO5
SMILES
C=CCOC(=O)NCCOCC(=O)O
InChI
InChI=1S/C8H13NO5/c1-2-4-14-8(12)9-3-5-13-6-7(10)11/h2H,1,3-6H2,(H,9,12)(H,10,11)
InChIKey
OERNBXIJUQXVTQ-UHFFFAOYSA-N
Compound name
2-[2-(prop-2-enoxycarbonylamino)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.07938 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08666 143.1
[M+Na]+ 226.06860 148.4
[M-H]- 202.07210 141.6
[M+NH4]+ 221.11320 160.8
[M+K]+ 242.04254 148.3
[M+H-H2O]+ 186.07664 137.3
[M+HCOO]- 248.07758 165.5
[M+CH3COO]- 262.09323 183.3
[M+Na-2H]- 224.05405 146.4
[M]+ 203.07883 146.0
[M]- 203.07993 146.0
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

No patent data available for this compound.