CID 163343310

2680539-11-9

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)N1C2CCCC1(C2)C(=O)O
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(16)13-8-5-4-6-12(13,7-8)9(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKey
MBUSWVKLEJLFGY-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 170.8
[M+Na]+ 264.120628 174.0
[M-H]- 240.124134 166.7
[M+NH4]+ 259.165233 185.8
[M+K]+ 280.094568 176.6
[M+H-H2O]+ 224.128670 162.4
[M+HCOO]- 286.129611 177.8
[M+CH3COO]- 300.145261 195.9
[M+Na-2H]- 262.106076 177.9
[M]+ 241.13086142 182.8
[M]- 241.13195858 182.8
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

patents stripe