CID 3012615

1-(4-hexoxyphenyl)guanidine

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCCCCCOC1=CC=C(C=C1)N=C(N)N
InChI
InChI=1S/C13H21N3O/c1-2-3-4-5-10-17-12-8-6-11(7-9-12)16-13(14)15/h6-9H,2-5,10H2,1H3,(H4,14,15,16)
InChIKey
AMXSRQWQNIJWTA-UHFFFAOYSA-N
Compound name
2-(4-hexoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

235.16846 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 156.4
[M+Na]+ 258.15768 160.9
[M-H]- 234.16118 159.8
[M+NH4]+ 253.20228 173.5
[M+K]+ 274.13162 158.6
[M+H-H2O]+ 218.16572 148.6
[M+HCOO]- 280.16666 182.4
[M+CH3COO]- 294.18231 202.1
[M+Na-2H]- 256.14313 159.7
[M]+ 235.16791 155.7
[M]- 235.16901 155.7
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.