CID 125514586

2089277-46-1

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CC2CC1(C2)CCC(=O)O
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-8-9-6-13(14,7-9)5-4-10(15)16/h9H,4-8H2,1-3H3,(H,15,16)
InChIKey
ANTZTQSLMJZUFM-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexan-1-yl]propanoic 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 174.1
[M+Na]+ 278.13628 177.9
[M-H]- 254.13978 172.2
[M+NH4]+ 273.18088 191.6
[M+K]+ 294.11022 179.8
[M+H-H2O]+ 238.14432 167.6
[M+HCOO]- 300.14526 185.5
[M+CH3COO]- 314.16091 196.7
[M+Na-2H]- 276.12173 177.3
[M]+ 255.14651 188.7
[M]- 255.14761 188.7
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.