CID 11513957

2-(4-amino-4-carboxybutyl)aziridine-2-carboxylic acid

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]+ 203.10263 143.9
[M+Na]+ 225.08457 150.8
[M-H]- 201.08807 142.7
[M+NH4]+ 220.12917 156.0
[M+K]+ 241.05851 147.6
[M+H-H2O]+ 185.09261 139.3
[M+HCOO]- 247.09355 160.4
[M+CH3COO]- 261.10920 183.1
[M+Na-2H]- 223.07002 146.1
[M]+ 202.09480 143.7
[M]- 202.09590 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.