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]+ 154.086256 130.0
[M+Na]+ 176.068198 144.6
[M-H]- 152.071704 133.5
[M+NH4]+ 171.112803 144.9
[M+K]+ 192.042138 139.3
[M+H-H2O]+ 136.076240 119.9
[M+HCOO]- 198.077181 148.4
[M+CH3COO]- 212.092831 187.7
[M+Na-2H]- 174.053646 136.4
[M]+ 153.07843142 130.6
[M]- 153.07952858 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.