CID 59471206

Tert-butyl n-{5-hydroxybicyclo[2.2.1]heptan-2-yl}carbamate

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2CC1CC2O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-9-5-8-4-7(9)6-10(8)14/h7-10,14H,4-6H2,1-3H3,(H,13,15)
InChIKey
BBXOJMCOYNYIDF-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 155.6
[M+Na]+ 250.141368 161.0
[M-H]- 226.144874 156.9
[M+NH4]+ 245.185973 178.2
[M+K]+ 266.115308 159.6
[M+H-H2O]+ 210.149410 152.1
[M+HCOO]- 272.150351 173.5
[M+CH3COO]- 286.166001 189.6
[M+Na-2H]- 248.126816 157.3
[M]+ 227.15160142 154.8
[M]- 227.15269858 154.8
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