CID 32041

1-aziridinepropionic acid, sec-butyl ester

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCC(C)OC(=O)CCN1CC1
InChI
InChI=1S/C9H17NO2/c1-3-8(2)12-9(11)4-5-10-6-7-10/h8H,3-7H2,1-2H3
InChIKey
ZGEDPDWIZTXRJQ-UHFFFAOYSA-N
Compound name
butan-2-yl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 143.2
[M+Na]+ 194.11515 151.1
[M-H]- 170.11865 146.1
[M+NH4]+ 189.15975 157.6
[M+K]+ 210.08909 149.5
[M+H-H2O]+ 154.12319 136.3
[M+HCOO]- 216.12413 164.0
[M+CH3COO]- 230.13978 184.6
[M+Na-2H]- 192.10060 146.6
[M]+ 171.12538 148.0
[M]- 171.12648 148.0
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.