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 146.6
[M+Na]+ 227.11549 150.4
[M-H]- 203.11899 152.6
[M+NH4]+ 222.16009 164.5
[M+K]+ 243.08943 148.7
[M+H-H2O]+ 187.12353 139.6
[M+HCOO]- 249.12447 167.2
[M+CH3COO]- 263.14012 187.8
[M+Na-2H]- 225.10094 153.0
[M]+ 204.12572 139.3
[M]- 204.12682 139.3
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.