CID 130840426

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

Structural Information

Molecular Formula
C9H13NO2
SMILES
COC(=O)C1(CCCN1)CC#C
InChI
InChI=1S/C9H13NO2/c1-3-5-9(8(11)12-2)6-4-7-10-9/h1,10H,4-7H2,2H3
InChIKey
IIMRGSYBSFCEGG-UHFFFAOYSA-N
Compound name
methyl 2-prop-2-ynylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 137.4
[M+Na]+ 190.08386 146.2
[M-H]- 166.08736 136.7
[M+NH4]+ 185.12846 156.9
[M+K]+ 206.05780 142.4
[M+H-H2O]+ 150.09190 125.9
[M+HCOO]- 212.09284 151.4
[M+CH3COO]- 226.10849 182.3
[M+Na-2H]- 188.06931 140.2
[M]+ 167.09409 129.8
[M]- 167.09519 129.8
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

No patent data available for this compound.