CID 131020347

Tert-butyl n-{3-hydroxyspiro[3.5]nonan-1-yl}carbamate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)NC1CC(C12CCCCC2)O
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-10-9-11(16)14(10)7-5-4-6-8-14/h10-11,16H,4-9H2,1-3H3,(H,15,17)
InChIKey
GVKUUSFKLCVLQK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxyspiro[3.5]nonan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 161.7
[M+Na]+ 278.172658 163.5
[M-H]- 254.176164 164.8
[M+NH4]+ 273.217263 173.4
[M+K]+ 294.146598 165.4
[M+H-H2O]+ 238.180700 151.5
[M+HCOO]- 300.181641 176.1
[M+CH3COO]- 314.197291 196.6
[M+Na-2H]- 276.158106 164.3
[M]+ 255.18289142 165.9
[M]- 255.18398858 165.9
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.