CID 31184

1-aziridinepropionic acid, 2-propynyl ester

Structural Information

Molecular Formula
C8H11NO2
SMILES
C#CCOC(=O)CCN1CC1
InChI
InChI=1S/C8H11NO2/c1-2-7-11-8(10)3-4-9-5-6-9/h1H,3-7H2
InChIKey
KNWBKQSCXNUGNW-UHFFFAOYSA-N
Compound name
prop-2-ynyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.9
[M+Na]+ 176.06820 145.0
[M+NH4]+ 171.11280 138.2
[M+K]+ 192.04214 138.5
[M-H]- 152.07170 132.2
[M+Na-2H]- 174.05365 137.7
[M]+ 153.07843 135.0
[M]- 153.07953 135.0
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.