CID 25324058

2-(boc-amino)-6-hydroxyspiro[3.3]heptane

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-4-12(5-8)6-9(14)7-12/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChIKey
XBBQALZXPLXYDL-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.159426 151.5
[M+Na]+ 250.141368 153.5
[M-H]- 226.144874 155.2
[M+NH4]+ 245.185973 157.6
[M+K]+ 266.115308 158.4
[M+H-H2O]+ 210.149410 137.8
[M+HCOO]- 272.150351 166.3
[M+CH3COO]- 286.166001 200.6
[M+Na-2H]- 248.126816 154.5
[M]+ 227.15160142 166.3
[M]- 227.15269858 166.3
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

patents stripe