CID 50986439

1308650-44-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCCC[C@@H]2[C@H]1[C@H]2C(=O)O
InChI
InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-7-5-4-6-8-9(10(8)14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)/t8-,9-,10-/m0/s1
InChIKey
SIRIUJBYRLGXJF-GUBZILKMSA-N
Compound name
(1S,7S,8S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[5.1.0]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 151.1
[M+Na]+ 278.13628 156.6
[M-H]- 254.13978 154.5
[M+NH4]+ 273.18088 162.0
[M+K]+ 294.11022 158.6
[M+H-H2O]+ 238.14432 146.0
[M+HCOO]- 300.14526 164.8
[M+CH3COO]- 314.16091 197.2
[M+Na-2H]- 276.12173 153.6
[M]+ 255.14651 151.0
[M]- 255.14761 151.0
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.