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]+ 256.154336 174.1
[M+Na]+ 278.136278 177.9
[M-H]- 254.139784 172.2
[M+NH4]+ 273.180883 191.6
[M+K]+ 294.110218 179.8
[M+H-H2O]+ 238.144320 167.6
[M+HCOO]- 300.145261 185.5
[M+CH3COO]- 314.160911 196.7
[M+Na-2H]- 276.121726 177.3
[M]+ 255.14651142 188.7
[M]- 255.14760858 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.