CID 104704158

1700368-87-1

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2CC2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-7-6-13(8-14,10(15)16)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
RHBCFKJGYYUWED-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 160.1
[M+Na]+ 278.13628 167.2
[M-H]- 254.13978 164.6
[M+NH4]+ 273.18088 174.0
[M+K]+ 294.11022 165.4
[M+H-H2O]+ 238.14432 155.6
[M+HCOO]- 300.14526 176.0
[M+CH3COO]- 314.16091 192.8
[M+Na-2H]- 276.12173 161.4
[M]+ 255.14651 162.6
[M]- 255.14761 162.6
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.