CID 137935310

2248272-51-5

Structural Information

Molecular Formula
C16H27NO5
SMILES
CC1(C2(CCC(O1)(CC2)CNC(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C16H27NO5/c1-13(2,3)21-12(20)17-10-15-6-8-16(9-7-15,11(18)19)14(4,5)22-15/h6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKey
RLXMCIYFQSPLPX-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18893 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.196206 176.8
[M+Na]+ 336.178148 180.3
[M-H]- 312.181654 172.0
[M+NH4]+ 331.222753 199.2
[M+K]+ 352.152088 180.6
[M+H-H2O]+ 296.186190 173.6
[M+HCOO]- 358.187131 182.1
[M+CH3COO]- 372.202781 209.0
[M+Na-2H]- 334.163596 188.3
[M]+ 313.18838142 181.9
[M]- 313.18947858 181.9
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.