CID 22975331

3-(2-methylpropyl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H19N
SMILES
CC(C)CC1CCCNC1
InChI
InChI=1S/C9H19N/c1-8(2)6-9-4-3-5-10-7-9/h8-10H,3-7H2,1-2H3
InChIKey
YUDLRLBJRSTYDN-UHFFFAOYSA-N
Compound name
3-(2-methylpropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

141.15175 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 135.4
[M+Na]+ 164.14097 139.0
[M-H]- 140.14447 135.0
[M+NH4]+ 159.18557 154.7
[M+K]+ 180.11491 137.3
[M+H-H2O]+ 124.14901 129.2
[M+HCOO]- 186.14995 151.7
[M+CH3COO]- 200.16560 173.3
[M+Na-2H]- 162.12642 138.8
[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