CID 79421149

1505359-06-7

Structural Information

Molecular Formula
C13H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CC#C)C(=O)O
InChI
InChI=1S/C13H19NO4/c1-5-6-13(10(15)16)7-8-14(9-13)11(17)18-12(2,3)4/h1H,6-9H2,2-4H3,(H,15,16)
InChIKey
FZKVLWPUMSSMNN-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-ynylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 160.0
[M+Na]+ 276.12063 168.3
[M-H]- 252.12413 159.5
[M+NH4]+ 271.16523 176.7
[M+K]+ 292.09457 165.3
[M+H-H2O]+ 236.12867 149.2
[M+HCOO]- 298.12961 171.1
[M+CH3COO]- 312.14526 196.9
[M+Na-2H]- 274.10608 160.3
[M]+ 253.13086 154.9
[M]- 253.13196 154.9
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