CID 155821978

Tert-butyl 3-{3-hydroxybicyclo[1.1.1]pentan-1-yl}azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C23CC(C2)(C3)O
InChI
InChI=1S/C13H21NO3/c1-11(2,3)17-10(15)14-4-9(5-14)12-6-13(16,7-12)8-12/h9,16H,4-8H2,1-3H3
InChIKey
RNTYMYMQLFWACF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 179.8
[M+Na]+ 262.14137 180.8
[M-H]- 238.14487 182.6
[M+NH4]+ 257.18597 177.6
[M+K]+ 278.11531 187.2
[M+H-H2O]+ 222.14941 165.6
[M+HCOO]- 284.15035 185.2
[M+CH3COO]- 298.16600 230.4
[M+Na-2H]- 260.12682 180.8
[M]+ 239.15160 205.2
[M]- 239.15270 205.2
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