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

8
Patents

154.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 129.7
[M+Na]+ 177.06345 138.7
[M-H]- 153.06695 131.5
[M+NH4]+ 172.10805 148.9
[M+K]+ 193.03739 137.6
[M+H-H2O]+ 137.07149 116.9
[M+HCOO]- 199.07243 147.7
[M+CH3COO]- 213.08808 187.4
[M+Na-2H]- 175.04890 133.0
[M]+ 154.07368 124.1
[M]- 154.07478 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