CID 155858672

2580202-83-9

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1COC2=C(CN1)C(=NC=C2)Cl
InChI
InChI=1S/C8H9ClN2O/c9-8-6-5-10-3-4-12-7(6)1-2-11-8/h1-2,10H,3-5H2
InChIKey
JSXRIBDCCXJRHI-UHFFFAOYSA-N
Compound name
6-chloro-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 134.5
[M+Na]+ 207.02956 146.6
[M+NH4]+ 202.07416 142.7
[M+K]+ 223.00350 141.6
[M-H]- 183.03306 136.9
[M+Na-2H]- 205.01501 140.4
[M]+ 184.03979 137.2
[M]- 184.04089 137.2
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

No patent data available for this compound.