CID 170917833

2955715-11-2

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CC3(C2)CCC3)C(=O)O
InChI
InChI=1S/C16H25NO4/c1-13(2,3)21-12(20)17-16(11(18)19)9-15(10-16)7-14(8-15)5-4-6-14/h4-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
AELPPAXOALCFIN-UHFFFAOYSA-N
Compound name
8-[(2-methylpropan-2-yl)oxycarbonylamino]dispiro[3.1.36.14]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 171.0
[M+Na]+ 318.167558 170.6
[M-H]- 294.171064 175.6
[M+NH4]+ 313.212163 171.5
[M+K]+ 334.141498 176.6
[M+H-H2O]+ 278.175600 157.1
[M+HCOO]- 340.176541 180.5
[M+CH3COO]- 354.192191 221.5
[M+Na-2H]- 316.153006 172.5
[M]+ 295.17779142 190.5
[M]- 295.17888858 190.5
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.