CID 63079214

4-phenyloxane-4-carboximidamide dihydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1COCCC1(C2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C12H16N2O/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H3,13,14)
InChIKey
LOMUZWYMXLGKAL-UHFFFAOYSA-N
Compound name
4-phenyloxane-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.8
[M+Na]+ 227.11549 158.2
[M+NH4]+ 222.16009 157.8
[M+K]+ 243.08943 150.4
[M-H]- 203.11899 154.0
[M+Na-2H]- 225.10094 156.3
[M]+ 204.12572 151.0
[M]- 204.12682 151.0
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.