CID 155822621

2503208-35-1

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC1(C2(CC(C2)(O1)C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H21NO5/c1-10(2,3)18-9(17)14-13-6-12(7-13,8(15)16)19-11(13,4)5/h6-7H2,1-5H3,(H,14,17)(H,15,16)
InChIKey
IHNIOYAKKNRDFP-UHFFFAOYSA-N
Compound name
3,3-dimethyl-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

0
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 161.0
[M+Na]+ 294.13119 160.3
[M+NH4]+ 289.17579 167.0
[M+K]+ 310.10513 159.1
[M-H]- 270.13469 154.1
[M+Na-2H]- 292.11664 157.5
[M]+ 271.14142 157.8
[M]- 271.14252 157.8
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.