CID 28188841

(2s)-1-(prop-2-ynoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H9NO3
SMILES
C#CC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C8H9NO3/c1-2-7(10)9-5-3-4-6(9)8(11)12/h1,6H,3-5H2,(H,11,12)/t6-/m0/s1
InChIKey
WIPABIPHFAHZDB-LURJTMIESA-N
Compound name
(2S)-1-prop-2-ynoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 135.6
[M+Na]+ 190.04746 144.4
[M-H]- 166.05096 135.0
[M+NH4]+ 185.09206 153.3
[M+K]+ 206.02140 141.7
[M+H-H2O]+ 150.05550 123.7
[M+HCOO]- 212.05644 149.2
[M+CH3COO]- 226.07209 182.9
[M+Na-2H]- 188.03291 136.0
[M]+ 167.05769 127.7
[M]- 167.05879 127.7
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.