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

159
Patents

125.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 136.6
[M+Na]+ 148.07328 141.2
[M-H]- 124.07678 137.2
[M+NH4]+ 143.11788 145.7
[M+K]+ 164.04722 141.5
[M+H-H2O]+ 108.08132 133.2
[M+HCOO]- 170.08226 145.6
[M+CH3COO]- 184.09791 215.2
[M+Na-2H]- 146.05873 138.3
[M]+ 125.08351 134.3
[M]- 125.08461 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