CID 57565

1-aziridinepropionic acid, cyclopropylmethyl ester

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC1COC(=O)CCN2CC2
InChI
InChI=1S/C9H15NO2/c11-9(3-4-10-5-6-10)12-7-8-1-2-8/h8H,1-7H2
InChIKey
RBZMDXMITLHIOC-UHFFFAOYSA-N
Compound name
cyclopropylmethyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 153.6
[M+Na]+ 192.09950 160.6
[M-H]- 168.10300 159.2
[M+NH4]+ 187.14410 161.4
[M+K]+ 208.07344 158.8
[M+H-H2O]+ 152.10754 146.5
[M+HCOO]- 214.10848 172.6
[M+CH3COO]- 228.12413 192.1
[M+Na-2H]- 190.08495 156.0
[M]+ 169.10973 158.4
[M]- 169.11083 158.4
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.