CID 177798301

Methyl (2s)-1-(prop-2-ynoyl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)[C@@H]1CCCN1C(=O)C#C
InChI
InChI=1S/C9H11NO3/c1-3-8(11)10-6-4-5-7(10)9(12)13-2/h1,7H,4-6H2,2H3/t7-/m0/s1
InChIKey
HFIDASOLHKOSQT-ZETCQYMHSA-N
Compound name
methyl (2S)-1-prop-2-ynoylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 138.0
[M+Na]+ 204.063118 146.9
[M-H]- 180.066624 138.6
[M+NH4]+ 199.107723 155.9
[M+K]+ 220.037058 144.8
[M+H-H2O]+ 164.071160 125.8
[M+HCOO]- 226.072101 152.8
[M+CH3COO]- 240.087751 187.3
[M+Na-2H]- 202.048566 138.5
[M]+ 181.07335142 132.1
[M]- 181.07444858 132.1
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

No patent data available for this compound.