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

2
Patents

241.13141 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 170.8
[M+Na]+ 264.12063 174.0
[M-H]- 240.12413 166.7
[M+NH4]+ 259.16523 185.8
[M+K]+ 280.09457 176.6
[M+H-H2O]+ 224.12867 162.4
[M+HCOO]- 286.12961 177.8
[M+CH3COO]- 300.14526 195.9
[M+Na-2H]- 262.10608 177.9
[M]+ 241.13086 182.8
[M]- 241.13196 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