CID 165459345

Tert-butyl 1-(hydroxymethyl)-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC12CC(C1)(CN(C2)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C13H23NO3/c1-11(2,3)17-10(16)14-7-12(4)5-13(6-12,8-14)9-15/h15H,5-9H2,1-4H3
InChIKey
NHCJTPJRBDUQQS-UHFFFAOYSA-N
Compound name
tert-butyl 1-(hydroxymethyl)-5-methyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 175.7
[M+Na]+ 264.15702 180.0
[M-H]- 240.16052 171.8
[M+NH4]+ 259.20162 193.0
[M+K]+ 280.13096 181.4
[M+H-H2O]+ 224.16506 167.7
[M+HCOO]- 286.16600 183.0
[M+CH3COO]- 300.18165 196.4
[M+Na-2H]- 262.14247 184.0
[M]+ 241.16725 188.2
[M]- 241.16835 188.2
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

No patent data available for this compound.