CID 7727

5-ethyl-2-methylpiperidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCC1CCC(NC1)C
InChI
InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
Compound name
5-ethyl-2-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

362
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 130.1
[M+Na]+ 150.125318 135.4
[M-H]- 126.128824 130.2
[M+NH4]+ 145.169923 150.4
[M+K]+ 166.099258 133.6
[M+H-H2O]+ 110.133360 124.4
[M+HCOO]- 172.134301 147.8
[M+CH3COO]- 186.149951 170.5
[M+Na-2H]- 148.110766 134.7
[M]+ 127.13555142 124.3
[M]- 127.13664858 124.3
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