CID 165588800

2728567-21-1

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N1C2CC1(COC2)C(=O)O
InChI
InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-7-4-11(12,8(13)14)6-16-5-7/h7H,4-6H2,1-3H3,(H,13,14)
InChIKey
NZKIBHFDBKAKDO-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxa-6-azabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.5
[M+Na]+ 266.09989 168.9
[M-H]- 242.10339 162.1
[M+NH4]+ 261.14449 179.1
[M+K]+ 282.07383 173.5
[M+H-H2O]+ 226.10793 157.0
[M+HCOO]- 288.10887 172.2
[M+CH3COO]- 302.12452 195.3
[M+Na-2H]- 264.08534 174.3
[M]+ 243.11012 179.2
[M]- 243.11122 179.2
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.