CID 14897383

135609-54-0

Structural Information

Molecular Formula
C5H7NO2
SMILES
C#CCOC(=O)CN
InChI
InChI=1S/C5H7NO2/c1-2-3-8-5(7)4-6/h1H,3-4,6H2
InChIKey
LVXKXXVVNAOYRJ-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

641
Patents

113.047676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.7
[M+Na]+ 136.03689 130.9
[M-H]- 112.04040 121.2
[M+NH4]+ 131.08150 141.5
[M+K]+ 152.01083 130.3
[M+H-H2O]+ 96.044936 111.1
[M+HCOO]- 158.04588 140.3
[M+CH3COO]- 172.06153 179.1
[M+Na-2H]- 134.02234 126.6
[M]+ 113.04713 116.4
[M]- 113.04822 116.4
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