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 174.8
[M+Na]+ 294.13119 179.5
[M-H]- 270.13469 175.1
[M+NH4]+ 289.17579 195.0
[M+K]+ 310.10513 182.2
[M+H-H2O]+ 254.13923 171.1
[M+HCOO]- 316.14017 187.1
[M+CH3COO]- 330.15582 200.8
[M+Na-2H]- 292.11664 182.5
[M]+ 271.14142 190.9
[M]- 271.14252 190.9
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.