CID 3066913

Brn 5578645

Structural Information

Molecular Formula
C8H12ClN3O4
SMILES
C1C[C@H](N(C1)C(=O)N(CCCl)N=O)C(=O)O
InChI
InChI=1S/C8H12ClN3O4/c9-3-5-12(10-16)8(15)11-4-1-2-6(11)7(13)14/h6H,1-5H2,(H,13,14)/t6-/m0/s1
InChIKey
KSJBRRBPOXIMQX-LURJTMIESA-N
Compound name
(2S)-1-[2-chloroethyl(nitroso)carbamoyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.05164 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05892 151.0
[M+Na]+ 272.04086 157.3
[M+NH4]+ 267.08546 156.0
[M+K]+ 288.01480 156.6
[M-H]- 248.04436 149.7
[M+Na-2H]- 270.02631 152.5
[M]+ 249.05109 151.0
[M]- 249.05219 151.0
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.