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]+ 256.154336 151.1
[M+Na]+ 278.136278 156.6
[M-H]- 254.139784 154.5
[M+NH4]+ 273.180883 162.0
[M+K]+ 294.110218 158.6
[M+H-H2O]+ 238.144320 146.0
[M+HCOO]- 300.145261 164.8
[M+CH3COO]- 314.160911 197.2
[M+Na-2H]- 276.121726 153.6
[M]+ 255.14651142 151.0
[M]- 255.14760858 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.