CID 165797199

2825007-69-8

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(=O)C12CCC(C1)CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO3/c1-10(16)14-6-5-11(7-14)8-15(9-14)12(17)18-13(2,3)4/h11H,5-9H2,1-4H3
InChIKey
RLVRJPRJSWIHEM-UHFFFAOYSA-N
Compound name
tert-butyl 1-acetyl-3-azabicyclo[3.2.1]octane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 162.1
[M+Na]+ 276.15702 167.4
[M-H]- 252.16052 162.9
[M+NH4]+ 271.20162 183.3
[M+K]+ 292.13096 166.3
[M+H-H2O]+ 236.16506 157.6
[M+HCOO]- 298.16600 175.7
[M+CH3COO]- 312.18165 194.2
[M+Na-2H]- 274.14247 164.7
[M]+ 253.16725 161.8
[M]- 253.16835 161.8
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

No patent data available for this compound.