CID 11492037

4-propoxypiperidine

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCOC1CCNCC1
InChI
InChI=1S/C8H17NO/c1-2-7-10-8-3-5-9-6-4-8/h8-9H,2-7H2,1H3
InChIKey
VOWMRECKIQVVPP-UHFFFAOYSA-N
Compound name
4-propoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

143.13101 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.6
[M+Na]+ 166.12023 137.8
[M-H]- 142.12373 133.2
[M+NH4]+ 161.16483 152.8
[M+K]+ 182.09417 136.5
[M+H-H2O]+ 126.12827 127.3
[M+HCOO]- 188.12921 151.5
[M+CH3COO]- 202.14486 171.4
[M+Na-2H]- 164.10568 138.8
[M]+ 143.13046 128.9
[M]- 143.13156 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