CID 5380356

4166-67-0

Structural Information

Molecular Formula
C6H9NO3
SMILES
CCNC(=O)/C=C\C(=O)O
InChI
InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3-
InChIKey
HBQGCOWNLUOCBU-ARJAWSKDSA-N
Compound name
(Z)-4-(ethylamino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1179
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.3
[M+Na]+ 166.04746 135.7
[M-H]- 142.05096 128.3
[M+NH4]+ 161.09206 149.6
[M+K]+ 182.02140 135.0
[M+H-H2O]+ 126.05550 124.5
[M+HCOO]- 188.05644 151.9
[M+CH3COO]- 202.07209 172.9
[M+Na-2H]- 164.03291 133.5
[M]+ 143.05769 128.5
[M]- 143.05879 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe