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]+ 128.070606 124.9
[M+Na]+ 150.052548 133.6
[M-H]- 126.056054 124.6
[M+NH4]+ 145.097153 144.4
[M+K]+ 166.026488 133.1
[M+H-H2O]+ 110.060590 114.1
[M+HCOO]- 172.061531 143.7
[M+CH3COO]- 186.077181 182.4
[M+Na-2H]- 148.037996 130.3
[M]+ 127.06278142 120.8
[M]- 127.06387858 120.8
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