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]+ 256.154336 177.9
[M+Na]+ 278.136278 181.8
[M-H]- 254.139784 173.9
[M+NH4]+ 273.180883 194.3
[M+K]+ 294.110218 183.9
[M+H-H2O]+ 238.144320 170.1
[M+HCOO]- 300.145261 184.4
[M+CH3COO]- 314.160911 198.5
[M+Na-2H]- 276.121726 185.4
[M]+ 255.14651142 190.6
[M]- 255.14760858 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.