CID 74661

4-tert-butylpiperidine

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)(C)C1CCNCC1
InChI
InChI=1S/C9H19N/c1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3
InChIKey
HAKKTZOUPCDMCN-UHFFFAOYSA-N
Compound name
4-tert-butylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1754
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 135.2
[M+Na]+ 164.14097 139.6
[M-H]- 140.14447 135.1
[M+NH4]+ 159.18557 154.8
[M+K]+ 180.11491 138.0
[M+H-H2O]+ 124.14901 129.7
[M+HCOO]- 186.14995 151.0
[M+CH3COO]- 200.16560 172.1
[M+Na-2H]- 162.12642 140.5
[M]+ 141.15120 128.9
[M]- 141.15230 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe