CID 15619698

2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC(C2=CC=CC=C2OC1)N
InChI
InChI=1S/C10H13NO/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9H,3,5,7,11H2
InChIKey
QJQARXIEBJBMRM-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 129.7
[M+Na]+ 186.088938 134.7
[M-H]- 162.092444 135.3
[M+NH4]+ 181.133543 148.5
[M+K]+ 202.062878 137.6
[M+H-H2O]+ 146.096980 125.1
[M+HCOO]- 208.097921 150.1
[M+CH3COO]- 222.113571 142.5
[M+Na-2H]- 184.074386 137.9
[M]+ 163.09917142 123.8
[M]- 163.10026858 123.8
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