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

9
Patents

255.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 162.0
[M+Na]+ 278.17266 165.0
[M-H]- 254.17616 163.9
[M+NH4]+ 273.21726 172.9
[M+K]+ 294.14660 166.6
[M+H-H2O]+ 238.18070 151.5
[M+HCOO]- 300.18164 174.3
[M+CH3COO]- 314.19729 194.3
[M+Na-2H]- 276.15811 164.4
[M]+ 255.18289 167.6
[M]- 255.18399 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