CID 137943575

2287287-55-0

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)NC12CC(C1)(OC2)C(=O)O
InChI
InChI=1S/C11H17NO5/c1-9(2,3)17-8(15)12-10-4-11(5-10,7(13)14)16-6-10/h4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
KBLSTQQTVKLCFW-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 153.5
[M+Na]+ 266.09989 152.7
[M+NH4]+ 261.14449 158.4
[M+K]+ 282.07383 153.4
[M-H]- 242.10339 146.6
[M+Na-2H]- 264.08534 149.0
[M]+ 243.11012 150.0
[M]- 243.11122 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe