CID 10844362

Methyl 4-aminobut-2-ynoate hydrochloride

Structural Information

Molecular Formula
C5H7NO2
SMILES
COC(=O)C#CCN
InChI
InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h4,6H2,1H3
InChIKey
LBVRHGXLAUAWOZ-UHFFFAOYSA-N
Compound name
methyl 4-aminobut-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 122.4
[M+Na]+ 136.03689 131.7
[M-H]- 112.04040 121.9
[M+NH4]+ 131.08150 142.3
[M+K]+ 152.01083 131.1
[M+H-H2O]+ 96.044936 111.9
[M+HCOO]- 158.04588 141.0
[M+CH3COO]- 172.06153 177.9
[M+Na-2H]- 134.02234 127.2
[M]+ 113.04713 116.9
[M]- 113.04822 116.9
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

No patent data available for this compound.