CID 118980710

1158759-28-4

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#N)C(=O)O
InChI
InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-5-4-11(6-12,7-13)8(14)15/h4-5,7H2,1-3H3,(H,14,15)
InChIKey
HCNPLTDBJWRSOX-UHFFFAOYSA-N
Compound name
3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

240.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 154.9
[M+Na]+ 263.10023 163.2
[M-H]- 239.10373 155.7
[M+NH4]+ 258.14483 172.2
[M+K]+ 279.07417 161.7
[M+H-H2O]+ 223.10827 143.7
[M+HCOO]- 285.10921 168.7
[M+CH3COO]- 299.12486 198.3
[M+Na-2H]- 261.08568 156.8
[M]+ 240.11046 150.0
[M]- 240.11156 150.0
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

patents stripe