CID 71305962

1330763-18-2

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CO2)C(=O)O
InChI
InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-6-11(8(13)14)4-7(12)5-16-11/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
GJLSXXFQRXNEFA-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11795 154.5
[M+Na]+ 266.09989 161.2
[M-H]- 242.10339 155.4
[M+NH4]+ 261.14449 175.8
[M+K]+ 282.07383 162.1
[M+H-H2O]+ 226.10793 151.7
[M+HCOO]- 288.10887 169.2
[M+CH3COO]- 302.12452 187.0
[M+Na-2H]- 264.08534 158.4
[M]+ 243.11012 157.0
[M]- 243.11122 157.0
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

patents stripe