CID 5702903

671188-20-8

Structural Information

Molecular Formula
C7H7NO3
SMILES
C#CCNC(=O)/C=C/C(=O)O
InChI
InChI=1S/C7H7NO3/c1-2-5-8-6(9)3-4-7(10)11/h1,3-4H,5H2,(H,8,9)(H,10,11)/b4-3+
InChIKey
HALRXTZFQAPCDC-ONEGZZNKSA-N
Compound name
(E)-4-oxo-4-(prop-2-ynylamino)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.04259 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04987 133.7
[M+Na]+ 176.03181 141.6
[M+NH4]+ 171.07641 135.9
[M+K]+ 192.00575 135.1
[M-H]- 152.03531 123.6
[M+Na-2H]- 174.01726 132.7
[M]+ 153.04204 130.6
[M]- 153.04314 130.6
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