CID 579185

1-butyryl-1,2,3,6-tetrahydropyridine

Structural Information

Molecular Formula
C9H15NO
SMILES
CCCC(=O)N1CCC=CC1
InChI
InChI=1S/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h3-4H,2,5-8H2,1H3
InChIKey
WDCQRYZVFWSXFI-UHFFFAOYSA-N
Compound name
1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 134.5
[M+Na]+ 176.104588 139.9
[M-H]- 152.108094 135.9
[M+NH4]+ 171.149193 154.1
[M+K]+ 192.078528 138.9
[M+H-H2O]+ 136.112630 128.0
[M+HCOO]- 198.113571 154.3
[M+CH3COO]- 212.129221 176.0
[M+Na-2H]- 174.090036 139.5
[M]+ 153.11482142 132.1
[M]- 153.11591858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe