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 134.7
[M+Na]+ 190.08386 143.6
[M-H]- 166.08736 135.1
[M+NH4]+ 185.12846 153.2
[M+K]+ 206.05780 141.1
[M+H-H2O]+ 150.09190 122.4
[M+HCOO]- 212.09284 150.0
[M+CH3COO]- 226.10849 186.1
[M+Na-2H]- 188.06931 136.4
[M]+ 167.09409 128.8
[M]- 167.09519 128.8
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