CID 9795049

Tert-butyl 1-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1CO)CCCCC2
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-10-14(11(15)9-16)7-5-4-6-8-14/h11,16H,4-10H2,1-3H3
InChIKey
TZAGSPVJHJQFHP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-2-azaspiro[3.5]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

255.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 162.0
[M+Na]+ 278.172658 165.0
[M-H]- 254.176164 163.9
[M+NH4]+ 273.217263 172.9
[M+K]+ 294.146598 166.6
[M+H-H2O]+ 238.180700 151.5
[M+HCOO]- 300.181641 174.3
[M+CH3COO]- 314.197291 194.3
[M+Na-2H]- 276.158106 164.4
[M]+ 255.18289142 167.6
[M]- 255.18398858 167.6
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