CID 55282053

Ethyl 4-aminobut-2-ynoate hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
CCOC(=O)C#CCN
InChI
InChI=1S/C6H9NO2/c1-2-9-6(8)4-3-5-7/h2,5,7H2,1H3
InChIKey
NQCYDACYMXBVAN-UHFFFAOYSA-N
Compound name
ethyl 4-aminobut-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.06333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 126.4
[M+Na]+ 150.052548 135.3
[M-H]- 126.056054 125.8
[M+NH4]+ 145.097153 145.8
[M+K]+ 166.026488 134.5
[M+H-H2O]+ 110.060590 115.7
[M+HCOO]- 172.061531 144.7
[M+CH3COO]- 186.077181 180.6
[M+Na-2H]- 148.037996 130.7
[M]+ 127.06278142 121.2
[M]- 127.06387858 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe