CID 165650081

2751620-68-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC12CC(C1)(CN(C2)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-7-12(4)5-13(6-12,8-14)9(15)16/h5-8H2,1-4H3,(H,15,16)
InChIKey
UXNFIMBLIKWHGN-UHFFFAOYSA-N
Compound name
5-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 161.9
[M+Na]+ 278.13628 164.3
[M+NH4]+ 273.18088 167.5
[M+K]+ 294.11022 159.3
[M-H]- 254.13978 153.9
[M+Na-2H]- 276.12173 157.9
[M]+ 255.14651 158.8
[M]- 255.14761 158.8
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.