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

66
Patents

101.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 119.2
[M+Na]+ 124.03689 126.1
[M-H]- 100.04040 118.0
[M+NH4]+ 119.08150 141.0
[M+K]+ 140.01083 125.7
[M+H-H2O]+ 84.044936 115.0
[M+HCOO]- 146.04588 141.4
[M+CH3COO]- 160.06153 165.7
[M+Na-2H]- 122.02234 123.3
[M]+ 101.04713 116.0
[M]- 101.04822 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