CID 165796483

(1r)-8-chloro-1-methyl-3-nitroso-2,3,4,5-tetrahydro-1h-3-benzazepine

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
C[C@H]1CN(CCC2=C1C=C(C=C2)Cl)N=O
InChI
InChI=1S/C11H13ClN2O/c1-8-7-14(13-15)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8H,4-5,7H2,1H3/t8-/m0/s1
InChIKey
POOKTNWLAMHIKQ-QMMMGPOBSA-N
Compound name
(5R)-7-chloro-5-methyl-3-nitroso-1,2,4,5-tetrahydro-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 144.0
[M+Na]+ 247.06086 152.5
[M-H]- 223.06436 149.4
[M+NH4]+ 242.10546 162.6
[M+K]+ 263.03480 153.2
[M+H-H2O]+ 207.06890 137.7
[M+HCOO]- 269.06984 161.6
[M+CH3COO]- 283.08549 194.9
[M+Na-2H]- 245.04631 150.4
[M]+ 224.07109 142.9
[M]- 224.07219 142.9
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.