CID 10558886

3-(tert-butoxy)piperidine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(C)OC1CCCNC1
InChI
InChI=1S/C9H19NO/c1-9(2,3)11-8-5-4-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKey
RSMXSKJUTTWWLA-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 138.5
[M+Na]+ 180.135888 142.9
[M-H]- 156.139394 138.3
[M+NH4]+ 175.180493 157.4
[M+K]+ 196.109828 141.7
[M+H-H2O]+ 140.143930 132.8
[M+HCOO]- 202.144871 154.5
[M+CH3COO]- 216.160521 174.1
[M+Na-2H]- 178.121336 143.8
[M]+ 157.14612142 133.6
[M]- 157.14721858 133.6
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