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]+ 168.101916 137.4
[M+Na]+ 190.083858 146.2
[M-H]- 166.087364 136.7
[M+NH4]+ 185.128463 156.9
[M+K]+ 206.057798 142.4
[M+H-H2O]+ 150.091900 125.9
[M+HCOO]- 212.092841 151.4
[M+CH3COO]- 226.108491 182.3
[M+Na-2H]- 188.069306 140.2
[M]+ 167.09409142 129.8
[M]- 167.09518858 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.