CID 87131303

2-[(but-3-yn-2-yl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(C#C)NCC(=O)O
InChI
InChI=1S/C6H9NO2/c1-3-5(2)7-4-6(8)9/h1,5,7H,4H2,2H3,(H,8,9)
InChIKey
CFDMCDMJELNAKK-UHFFFAOYSA-N
Compound name
2-(but-3-yn-2-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

127.06333 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 127.6
[M+Na]+ 150.05255 135.7
[M-H]- 126.05605 126.1
[M+NH4]+ 145.09715 146.3
[M+K]+ 166.02649 134.8
[M+H-H2O]+ 110.06059 117.0
[M+HCOO]- 172.06153 144.1
[M+CH3COO]- 186.07718 181.5
[M+Na-2H]- 148.03800 131.1
[M]+ 127.06278 121.2
[M]- 127.06388 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.