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

0
Patents

281.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20638 163.9
[M+Na]+ 304.18832 165.7
[M-H]- 280.19182 167.6
[M+NH4]+ 299.23292 169.2
[M+K]+ 320.16226 169.5
[M+H-H2O]+ 264.19636 150.6
[M+HCOO]- 326.19730 173.3
[M+CH3COO]- 340.21295 206.3
[M+Na-2H]- 302.17377 166.3
[M]+ 281.19855 176.3
[M]- 281.19965 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

No patent data available for this compound.