CID 4178649

1-ethyl-4-methylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCN1CCC(CC1)C
InChI
InChI=1S/C8H17N/c1-3-9-6-4-8(2)5-7-9/h8H,3-7H2,1-2H3
InChIKey
JUHZIHYGDUXTFJ-UHFFFAOYSA-N
Compound name
1-ethyl-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

824
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 129.2
[M+Na]+ 150.125318 134.8
[M-H]- 126.128824 130.7
[M+NH4]+ 145.169923 150.2
[M+K]+ 166.099258 134.0
[M+H-H2O]+ 110.133360 123.2
[M+HCOO]- 172.134301 148.4
[M+CH3COO]- 186.149951 173.3
[M+Na-2H]- 148.110766 134.3
[M]+ 127.13555142 125.3
[M]- 127.13664858 125.3
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