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

4
Patents

161.09712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10440 135.2
[M+Na]+ 184.08634 141.3
[M-H]- 160.08984 136.5
[M+NH4]+ 179.13094 155.5
[M+K]+ 200.06028 138.9
[M+H-H2O]+ 144.09438 129.8
[M+HCOO]- 206.09532 148.8
[M+CH3COO]- 220.11097 178.0
[M+Na-2H]- 182.07179 138.6
[M]+ 161.09657 132.5
[M]- 161.09767 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