CID 17975591

(z)-2-methylaminoacrylate

Structural Information

Molecular Formula
C4H7NO2
SMILES
C/C(=C/N)/C(=O)O
InChI
InChI=1S/C4H7NO2/c1-3(2-5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
InChIKey
SQNWFKZOFAOCHM-IHWYPQMZSA-N
Compound name
(Z)-3-amino-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

101.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.054952 119.2
[M+Na]+ 124.036894 126.1
[M-H]- 100.040400 118.0
[M+NH4]+ 119.081499 141.0
[M+K]+ 140.010834 125.7
[M+H-H2O]+ 84.044936 115.0
[M+HCOO]- 146.045877 141.4
[M+CH3COO]- 160.061527 165.7
[M+Na-2H]- 122.022342 123.3
[M]+ 101.04712742 116.0
[M]- 101.04822458 116.0
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

patents stripe