CID 202966

3-ethylpiperidine

Structural Information

Molecular Formula
C7H15N
SMILES
CCC1CCCNC1
InChI
InChI=1S/C7H15N/c1-2-7-4-3-5-8-6-7/h7-8H,2-6H2,1H3
InChIKey
YLUDSYGJHAQGOD-UHFFFAOYSA-N
Compound name
3-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1501
Patents

113.12045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 126.0
[M+Na]+ 136.10967 130.6
[M-H]- 112.11317 125.8
[M+NH4]+ 131.15427 146.4
[M+K]+ 152.08361 129.1
[M+H-H2O]+ 96.117710 120.1
[M+HCOO]- 158.11865 144.0
[M+CH3COO]- 172.13430 166.4
[M+Na-2H]- 134.09512 131.7
[M]+ 113.11990 119.4
[M]- 113.12100 119.4
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