CID 12706372

1,2,5,6,7,8-hexahydroazocin-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCNC(=O)/C=C\C1
InChI
InChI=1S/C7H11NO/c9-7-5-3-1-2-4-6-8-7/h3,5H,1-2,4,6H2,(H,8,9)/b5-3-
InChIKey
VKJBICQSBBONRC-HYXAFXHYSA-N
Compound name
(6Z)-2,3,4,5-tetrahydro-1H-azocin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

125.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 136.6
[M+Na]+ 148.073278 141.2
[M-H]- 124.076784 137.2
[M+NH4]+ 143.117883 145.7
[M+K]+ 164.047218 141.5
[M+H-H2O]+ 108.081320 133.2
[M+HCOO]- 170.082261 145.6
[M+CH3COO]- 184.097911 215.2
[M+Na-2H]- 146.058726 138.3
[M]+ 125.08351142 134.3
[M]- 125.08460858 134.3
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