CID 11513957

2-(4-amino-4-carboxybutyl)aziridine-2-carboxylate

Structural Information

Molecular Formula
C8H14N2O4
SMILES
C1[C@@](N1)(CCC[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C8H14N2O4/c9-5(6(11)12)2-1-3-8(4-10-8)7(13)14/h5,10H,1-4,9H2,(H,11,12)(H,13,14)/t5-,8-/m0/s1
InChIKey
PZLRXNWCQLUSBF-XNCJUZBTSA-N
Compound name
(2S)-2-[(4S)-4-amino-4-carboxybutyl]aziridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.09535 Da
Monoisotopic Mass

-5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.102626 143.9
[M+Na]+ 225.084568 150.8
[M-H]- 201.088074 142.7
[M+NH4]+ 220.129173 156.0
[M+K]+ 241.058508 147.6
[M+H-H2O]+ 185.092610 139.3
[M+HCOO]- 247.093551 160.4
[M+CH3COO]- 261.109201 183.1
[M+Na-2H]- 223.070016 146.1
[M]+ 202.09480142 143.7
[M]- 202.09589858 143.7
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.