CID 95068

Nsc15835

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1CC(=O)N(C1C(=O)O)CCC#N
InChI
InChI=1S/C8H10N2O3/c9-4-1-5-10-6(8(12)13)2-3-7(10)11/h6H,1-3,5H2,(H,12,13)
InChIKey
MISMXAVSVZNOFP-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

182.06914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.3
[M+Na]+ 205.05836 145.4
[M-H]- 181.06186 137.0
[M+NH4]+ 200.10296 153.9
[M+K]+ 221.03230 143.3
[M+H-H2O]+ 165.06640 123.8
[M+HCOO]- 227.06734 153.0
[M+CH3COO]- 241.08299 190.5
[M+Na-2H]- 203.04381 138.0
[M]+ 182.06859 130.3
[M]- 182.06969 130.3
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

patents stripe