CID 167720774

En300-45182175

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-6-8-4-9(7-14)10(5-8)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10+/m0/s1
InChIKey
WSLYSVURXITUQV-LPEHRKFASA-N
Compound name
(1S,5R,6R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.1]octane-6-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]+ 256.15434 160.7
[M+Na]+ 278.13628 165.7
[M-H]- 254.13978 160.2
[M+NH4]+ 273.18088 179.2
[M+K]+ 294.11022 164.5
[M+H-H2O]+ 238.14432 156.0
[M+HCOO]- 300.14526 173.2
[M+CH3COO]- 314.16091 192.5
[M+Na-2H]- 276.12173 161.7
[M]+ 255.14651 159.7
[M]- 255.14761 159.7
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.