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 130.0
[M+Na]+ 176.06820 144.6
[M-H]- 152.07170 133.5
[M+NH4]+ 171.11280 144.9
[M+K]+ 192.04214 139.3
[M+H-H2O]+ 136.07624 119.9
[M+HCOO]- 198.07718 148.4
[M+CH3COO]- 212.09283 187.7
[M+Na-2H]- 174.05365 136.4
[M]+ 153.07843 130.6
[M]- 153.07953 130.6
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.