CID 53425533

Methyl 3-aminoprop-2-enoate

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

53
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 118.0
[M+Na]+ 124.03689 125.7
[M-H]- 100.04040 118.3
[M+NH4]+ 119.08150 140.8
[M+K]+ 140.01083 125.8
[M+H-H2O]+ 84.044936 113.6
[M+HCOO]- 146.04588 142.8
[M+CH3COO]- 160.06153 166.7
[M+Na-2H]- 122.02234 124.1
[M]+ 101.04713 117.4
[M]- 101.04822 117.4
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