CID 18507025

1159826-74-0

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

115
Patents

255.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.3
[M+Na]+ 278.13628 164.6
[M+NH4]+ 273.18088 164.1
[M+K]+ 294.11022 163.9
[M-H]- 254.13978 155.2
[M+Na-2H]- 276.12173 156.7
[M]+ 255.14651 157.7
[M]- 255.14761 157.7
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