CID 9589039

133661-75-3

Structural Information

Molecular Formula
C12H12ClN3O2
SMILES
C1CC(=O)N[C@@H]1C(=O)N/N=C/C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN3O2/c13-9-4-2-1-3-8(9)7-14-16-12(18)10-5-6-11(17)15-10/h1-4,7,10H,5-6H2,(H,15,17)(H,16,18)/b14-7+/t10-/m0/s1
InChIKey
VJHKSGPELAUONI-UQDQQJHMSA-N
Compound name
(2S)-N-[(E)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0618 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.069076 159.0
[M+Na]+ 288.051018 165.7
[M-H]- 264.054524 164.1
[M+NH4]+ 283.095623 175.9
[M+K]+ 304.024958 160.6
[M+H-H2O]+ 248.059060 151.6
[M+HCOO]- 310.060001 178.1
[M+CH3COO]- 324.075651 196.3
[M+Na-2H]- 286.036466 161.3
[M]+ 265.06125142 157.1
[M]- 265.06234858 157.1
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.