CID 28563244

Methyl 2-[(prop-2-yn-1-yl)amino]acetate

Structural Information

Molecular Formula
C6H9NO2
SMILES
COC(=O)CNCC#C
InChI
InChI=1S/C6H9NO2/c1-3-4-7-5-6(8)9-2/h1,7H,4-5H2,2H3
InChIKey
YVYICVDIZGCHRK-UHFFFAOYSA-N
Compound name
methyl 2-(prop-2-ynylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

127.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 126.5
[M+Na]+ 150.05255 135.8
[M+NH4]+ 145.09715 130.3
[M+K]+ 166.02649 128.2
[M-H]- 126.05605 118.1
[M+Na-2H]- 148.03800 127.4
[M]+ 127.06278 124.3
[M]- 127.06388 124.3
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