CID 163321463

2839158-38-0

Structural Information

Molecular Formula
C16H27NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3(C2)CC(C3)O
InChI
InChI=1S/C16H27NO3/c1-14(2,3)20-13(19)17-6-4-15(5-7-17)10-16(11-15)8-12(18)9-16/h12,18H,4-11H2,1-3H3
InChIKey
BTELBEADLMVEEJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxy-9-azadispiro[3.1.56.14]dodecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.206376 163.9
[M+Na]+ 304.188318 165.7
[M-H]- 280.191824 167.6
[M+NH4]+ 299.232923 169.2
[M+K]+ 320.162258 169.5
[M+H-H2O]+ 264.196360 150.6
[M+HCOO]- 326.197301 173.3
[M+CH3COO]- 340.212951 206.3
[M+Na-2H]- 302.173766 166.3
[M]+ 281.19855142 176.3
[M]- 281.19964858 176.3
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

patents stripe