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]+ 296.18562 171.0
[M+Na]+ 318.16756 170.6
[M-H]- 294.17106 175.6
[M+NH4]+ 313.21216 171.5
[M+K]+ 334.14150 176.6
[M+H-H2O]+ 278.17560 157.1
[M+HCOO]- 340.17654 180.5
[M+CH3COO]- 354.19219 221.5
[M+Na-2H]- 316.15301 172.5
[M]+ 295.17779 190.5
[M]- 295.17889 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.