CID 12706372

105495-14-5

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

91
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 132.6
[M+Na]+ 148.07328 136.2
[M+NH4]+ 143.11788 135.5
[M+K]+ 164.04722 136.1
[M-H]- 124.07678 133.1
[M+Na-2H]- 146.05873 136.4
[M]+ 125.08351 133.1
[M]- 125.08461 133.1
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