CID 121604382

1936652-78-6

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2CCCC1(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-9-5-4-6-13(14,7-9)10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
DNEMPSRQAZFJMK-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azabicyclo[3.2.1]octane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 160.9
[M+Na]+ 278.136278 166.1
[M-H]- 254.139784 160.4
[M+NH4]+ 273.180883 181.3
[M+K]+ 294.110218 165.0
[M+H-H2O]+ 238.144320 156.8
[M+HCOO]- 300.145261 173.5
[M+CH3COO]- 314.160911 190.8
[M+Na-2H]- 276.121726 163.9
[M]+ 255.14651142 159.9
[M]- 255.14760858 159.9
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

No patent data available for this compound.