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]+ 204.086656 143.1
[M+Na]+ 226.068598 148.4
[M-H]- 202.072104 141.6
[M+NH4]+ 221.113203 160.8
[M+K]+ 242.042538 148.3
[M+H-H2O]+ 186.076640 137.3
[M+HCOO]- 248.077581 165.5
[M+CH3COO]- 262.093231 183.3
[M+Na-2H]- 224.054046 146.4
[M]+ 203.07883142 146.0
[M]- 203.07992858 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.