CID 20792982

3-tert-butylpiperidine hydrochloride

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)(C)C1CCCNC1
InChI
InChI=1S/C9H19N/c1-9(2,3)8-5-4-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKey
VQMAMHGIVQPZIY-UHFFFAOYSA-N
Compound name
3-tert-butylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 135.2
[M+Na]+ 164.140968 139.6
[M-H]- 140.144474 135.1
[M+NH4]+ 159.185573 154.8
[M+K]+ 180.114908 138.0
[M+H-H2O]+ 124.149010 129.7
[M+HCOO]- 186.149951 151.0
[M+CH3COO]- 200.165601 172.1
[M+Na-2H]- 162.126416 140.5
[M]+ 141.15120142 128.9
[M]- 141.15229858 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

No literature data available for this compound.

Patent stripe

patents stripe