CID 15735999

1003022-06-7

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]+ 140.070596 130.1
[M+Na]+ 162.052538 138.9
[M-H]- 138.056044 128.4
[M+NH4]+ 157.097143 148.3
[M+K]+ 178.026478 135.4
[M+H-H2O]+ 122.060580 118.6
[M+HCOO]- 184.061521 143.2
[M+CH3COO]- 198.077171 176.6
[M+Na-2H]- 160.037986 131.6
[M]+ 139.06277142 120.2
[M]- 139.06386858 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