CID 18507025

8-[(tert-butoxy)carbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1C2CCC1CC(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKey
HKXICUDOIXLKLJ-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
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 160.7
[M+Na]+ 278.136278 165.7
[M-H]- 254.139784 160.2
[M+NH4]+ 273.180883 179.2
[M+K]+ 294.110218 164.5
[M+H-H2O]+ 238.144320 156.0
[M+HCOO]- 300.145261 173.2
[M+CH3COO]- 314.160911 192.5
[M+Na-2H]- 276.121726 161.7
[M]+ 255.14651142 159.7
[M]- 255.14760858 159.7
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