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

35
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 129.7
[M+Na]+ 186.08894 134.7
[M-H]- 162.09244 135.3
[M+NH4]+ 181.13354 148.5
[M+K]+ 202.06288 137.6
[M+H-H2O]+ 146.09698 125.1
[M+HCOO]- 208.09792 150.1
[M+CH3COO]- 222.11357 142.5
[M+Na-2H]- 184.07439 137.9
[M]+ 163.09917 123.8
[M]- 163.10027 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