CID 28806958

2-(3,4-dihydro-2h-1,4-benzoxazin-4-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H14N2O
SMILES
C1COC2=CC=CC=C2N1CCN
InChI
InChI=1S/C10H14N2O/c11-5-6-12-7-8-13-10-4-2-1-3-9(10)12/h1-4H,5-8,11H2
InChIKey
SIOJYEDTWCEXLT-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.11061 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 137.8
[M+Na]+ 201.09983 144.4
[M-H]- 177.10333 140.5
[M+NH4]+ 196.14443 155.7
[M+K]+ 217.07377 142.7
[M+H-H2O]+ 161.10787 130.6
[M+HCOO]- 223.10881 157.4
[M+CH3COO]- 237.12446 182.3
[M+Na-2H]- 199.08528 146.2
[M]+ 178.11006 135.2
[M]- 178.11116 135.2
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.