CID 114524

1-ethyl-3-hydroxypiperidine

Structural Information

Molecular Formula
C7H15NO
SMILES
CCN1CCCC(C1)O
InChI
InChI=1S/C7H15NO/c1-2-8-5-3-4-7(9)6-8/h7,9H,2-6H2,1H3
InChIKey
ZNPSUOAGONLMLK-UHFFFAOYSA-N
Compound name
1-ethylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

602
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.8
[M+Na]+ 152.10459 134.4
[M-H]- 128.10809 129.0
[M+NH4]+ 147.14919 148.9
[M+K]+ 168.07853 133.3
[M+H-H2O]+ 112.11263 123.0
[M+HCOO]- 174.11357 147.0
[M+CH3COO]- 188.12922 169.5
[M+Na-2H]- 150.09004 133.8
[M]+ 129.11482 124.1
[M]- 129.11592 124.1
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