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 177.9
[M+Na]+ 278.13628 181.8
[M-H]- 254.13978 173.9
[M+NH4]+ 273.18088 194.3
[M+K]+ 294.11022 183.9
[M+H-H2O]+ 238.14432 170.1
[M+HCOO]- 300.14526 184.4
[M+CH3COO]- 314.16091 198.5
[M+Na-2H]- 276.12173 185.4
[M]+ 255.14651 190.6
[M]- 255.14761 190.6
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.