CID 122163295

Tert-butyl n-{3-hydroxyspiro[3.3]heptan-1-yl}carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC(C12CCC2)O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-7-9(14)12(8)5-4-6-12/h8-9,14H,4-7H2,1-3H3,(H,13,15)
InChIKey
WXGBLIVTVFWNQT-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxyspiro[3.3]heptan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 151.5
[M+Na]+ 250.14137 153.5
[M-H]- 226.14487 155.2
[M+NH4]+ 245.18597 157.6
[M+K]+ 266.11531 158.4
[M+H-H2O]+ 210.14941 137.8
[M+HCOO]- 272.15035 166.3
[M+CH3COO]- 286.16600 200.6
[M+Na-2H]- 248.12682 154.5
[M]+ 227.15160 166.3
[M]- 227.15270 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

No patent data available for this compound.