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]+ 256.19072 161.7
[M+Na]+ 278.17266 163.5
[M-H]- 254.17616 164.8
[M+NH4]+ 273.21726 173.4
[M+K]+ 294.14660 165.4
[M+H-H2O]+ 238.18070 151.5
[M+HCOO]- 300.18164 176.1
[M+CH3COO]- 314.19729 196.6
[M+Na-2H]- 276.15811 164.3
[M]+ 255.18289 165.9
[M]- 255.18399 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.