CID 393869

Nsc696796

Structural Information

Molecular Formula
C11H11N3O3
SMILES
CC(=O)NC1=C(N2CCCC2=C1C#N)C(=O)O
InChI
InChI=1S/C11H11N3O3/c1-6(15)13-9-7(5-12)8-3-2-4-14(8)10(9)11(16)17/h2-4H2,1H3,(H,13,15)(H,16,17)
InChIKey
CQWZHIIAOZELRZ-UHFFFAOYSA-N
Compound name
2-acetamido-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08005 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 154.4
[M+Na]+ 256.06927 164.1
[M-H]- 232.07277 156.1
[M+NH4]+ 251.11387 172.3
[M+K]+ 272.04321 160.3
[M+H-H2O]+ 216.07731 141.8
[M+HCOO]- 278.07825 171.7
[M+CH3COO]- 292.09390 202.1
[M+Na-2H]- 254.05472 154.4
[M]+ 233.07950 149.1
[M]- 233.08060 149.1
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.