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

9
Patents

227.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 155.6
[M+Na]+ 250.14137 161.0
[M-H]- 226.14487 156.9
[M+NH4]+ 245.18597 178.2
[M+K]+ 266.11531 159.6
[M+H-H2O]+ 210.14941 152.1
[M+HCOO]- 272.15035 173.5
[M+CH3COO]- 286.16600 189.6
[M+Na-2H]- 248.12682 157.3
[M]+ 227.15160 154.8
[M]- 227.15270 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