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]+ 236.175736 156.4
[M+Na]+ 258.157678 160.9
[M-H]- 234.161184 159.8
[M+NH4]+ 253.202283 173.5
[M+K]+ 274.131618 158.6
[M+H-H2O]+ 218.165720 148.6
[M+HCOO]- 280.166661 182.4
[M+CH3COO]- 294.182311 202.1
[M+Na-2H]- 256.143126 159.7
[M]+ 235.16791142 155.7
[M]- 235.16900858 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

literature stripe

Patent stripe

patents stripe