CID 78529

Piperidine, 1-ethyl-, 1-oxide

Structural Information

Molecular Formula
C7H15NO
SMILES
CC[N+]1(CCCCC1)[O-]
InChI
InChI=1S/C7H15NO/c1-2-8(9)6-4-3-5-7-8/h2-7H2,1H3
InChIKey
WJBMONKBNBEWTQ-UHFFFAOYSA-N
Compound name
1-ethyl-1-oxidopiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

129.11537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 126.9
[M+Na]+ 152.104588 132.4
[M-H]- 128.108094 127.3
[M+NH4]+ 147.149193 148.7
[M+K]+ 168.078528 127.1
[M+H-H2O]+ 112.112630 126.7
[M+HCOO]- 174.113571 145.8
[M+CH3COO]- 188.129221 161.1
[M+Na-2H]- 150.090036 135.5
[M]+ 129.11482142 120.1
[M]- 129.11591858 120.1
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