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 124.9
[M+Na]+ 150.05255 133.6
[M-H]- 126.05605 124.6
[M+NH4]+ 145.09715 144.4
[M+K]+ 166.02649 133.1
[M+H-H2O]+ 110.06059 114.1
[M+HCOO]- 172.06153 143.7
[M+CH3COO]- 186.07718 182.4
[M+Na-2H]- 148.03800 130.3
[M]+ 127.06278 120.8
[M]- 127.06388 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