CID 63389507

5570-79-6

Structural Information

Molecular Formula
C8H16ClN
SMILES
CC(C)N1CCC(CC1)Cl
InChI
InChI=1S/C8H16ClN/c1-7(2)10-5-3-8(9)4-6-10/h7-8H,3-6H2,1-2H3
InChIKey
PAACGLGXFICDPG-UHFFFAOYSA-N
Compound name
4-chloro-1-propan-2-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

161.09712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.104396 135.2
[M+Na]+ 184.086338 141.3
[M-H]- 160.089844 136.5
[M+NH4]+ 179.130943 155.5
[M+K]+ 200.060278 138.9
[M+H-H2O]+ 144.094380 129.8
[M+HCOO]- 206.095321 148.8
[M+CH3COO]- 220.110971 178.0
[M+Na-2H]- 182.071786 138.6
[M]+ 161.09657142 132.5
[M]- 161.09766858 132.5
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