CID 15735999

Schembl11998125

Structural Information

Molecular Formula
C7H9NO2
SMILES
C#C[C@H]1CC[C@H](N1)C(=O)O
InChI
InChI=1S/C7H9NO2/c1-2-5-3-4-6(8-5)7(9)10/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKey
JWOHRHJMTNGZBX-WDSKDSINSA-N
Compound name
(2S,5R)-5-ethynylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

139.06332 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 130.1
[M+Na]+ 162.05254 138.9
[M-H]- 138.05604 128.4
[M+NH4]+ 157.09714 148.3
[M+K]+ 178.02648 135.4
[M+H-H2O]+ 122.06058 118.6
[M+HCOO]- 184.06152 143.2
[M+CH3COO]- 198.07717 176.6
[M+Na-2H]- 160.03799 131.6
[M]+ 139.06277 120.2
[M]- 139.06387 120.2
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