CID 520300

27300-27-2

Structural Information

Molecular Formula
C7H11NO
SMILES
CC(=O)C1=NCCCC1
InChI
InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3
InChIKey
GNZWXNKZMHJXNU-UHFFFAOYSA-N
Compound name
1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

432
Patents

125.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 125.0
[M+Na]+ 148.073278 131.2
[M-H]- 124.076784 126.8
[M+NH4]+ 143.117883 145.6
[M+K]+ 164.047218 130.7
[M+H-H2O]+ 108.081320 118.9
[M+HCOO]- 170.082261 145.5
[M+CH3COO]- 184.097911 170.6
[M+Na-2H]- 146.058726 131.1
[M]+ 125.08351142 121.9
[M]- 125.08460858 121.9
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