CID 137963932

2225141-56-8

Structural Information

Molecular Formula
C16H25NO5
SMILES
CC12CC(C1)(C3(O2)CCN(CC3)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H25NO5/c1-13(2,3)21-12(20)17-7-5-16(6-8-17)15(11(18)19)9-14(4,10-15)22-16/h5-10H2,1-4H3,(H,18,19)
InChIKey
JIKLTOVTPHCCBU-UHFFFAOYSA-N
Compound name
1-methyl-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2-oxabicyclo[2.1.1]hexane-3,4'-piperidine]-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17328 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18056 181.6
[M+Na]+ 334.16250 184.9
[M-H]- 310.16600 182.6
[M+NH4]+ 329.20710 199.1
[M+K]+ 350.13644 187.2
[M+H-H2O]+ 294.17054 175.8
[M+HCOO]- 356.17148 188.6
[M+CH3COO]- 370.18713 204.4
[M+Na-2H]- 332.14795 186.3
[M]+ 311.17273 194.3
[M]- 311.17383 194.3
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.