CID 9964156

367906-51-2

Structural Information

Molecular Formula
C7H10N2O2
SMILES
COC(=O)[C@@H]1CCCN1C#N
InChI
InChI=1S/C7H10N2O2/c1-11-7(10)6-3-2-4-9(6)5-8/h6H,2-4H2,1H3/t6-/m0/s1
InChIKey
HAUJCOYPXFAWIL-LURJTMIESA-N
Compound name
methyl (2S)-1-cyanopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

154.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 129.7
[M+Na]+ 177.063448 138.7
[M-H]- 153.066954 131.5
[M+NH4]+ 172.108053 148.9
[M+K]+ 193.037388 137.6
[M+H-H2O]+ 137.071490 116.9
[M+HCOO]- 199.072431 147.7
[M+CH3COO]- 213.088081 187.4
[M+Na-2H]- 175.048896 133.0
[M]+ 154.07368142 124.1
[M]- 154.07477858 124.1
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

patents stripe