CID 122163894

Methyl (2s)-1-(prop-2-yn-1-yl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)[C@@H]1CCCN1CC#C
InChI
InChI=1S/C9H13NO2/c1-3-6-10-7-4-5-8(10)9(11)12-2/h1,8H,4-7H2,2H3/t8-/m0/s1
InChIKey
NTRNTMCVMHUZEA-QMMMGPOBSA-N
Compound name
methyl (2S)-1-prop-2-ynylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 136.6
[M+Na]+ 190.08386 145.9
[M+NH4]+ 185.12846 140.4
[M+K]+ 206.05780 139.6
[M-H]- 166.08736 128.4
[M+Na-2H]- 188.06931 137.1
[M]+ 167.09409 134.5
[M]- 167.09519 134.5
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