CID 46173136

(z)-3-aminoacrylate

Structural Information

Molecular Formula
C3H5NO2
SMILES
C(=C\N)\C(=O)O
InChI
InChI=1S/C3H5NO2/c4-2-1-3(5)6/h1-2H,4H2,(H,5,6)/b2-1-
InChIKey
YTLYLLTVENPWFT-UPHRSURJSA-N
Compound name
(Z)-3-aminoprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5626
Patents

87.03203 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 114.1
[M+Na]+ 110.021248 121.7
[M-H]- 86.024754 113.0
[M+NH4]+ 105.065853 136.5
[M+K]+ 125.995188 121.0
[M+H-H2O]+ 70.029290 110.0
[M+HCOO]- 132.030231 137.6
[M+CH3COO]- 146.045881 161.7
[M+Na-2H]- 108.006696 120.1
[M]+ 87.03148142 111.2
[M]- 87.03257858 111.2
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