CID 53425533

Methyl-3-aminoacrylate

Structural Information

Molecular Formula
C4H7NO2
SMILES
COC(=O)C=CN
InChI
InChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3
InChIKey
YHNZLOOOVQYYCP-UHFFFAOYSA-N
Compound name
methyl 3-aminoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

101.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.7
[M+Na]+ 124.03689 127.9
[M+NH4]+ 119.08150 125.9
[M+K]+ 140.01083 123.7
[M-H]- 100.04040 117.7
[M+Na-2H]- 122.02234 122.0
[M]+ 101.04713 119.2
[M]- 101.04822 119.2
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