CID 203064

13736-88-4

Structural Information

Molecular Formula
C15H25N3O
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=N)N
InChI
InChI=1S/C15H25N3O/c1-2-3-4-5-6-7-10-19-14-9-8-12(16)11-13(14)15(17)18/h8-9,11H,2-7,10,16H2,1H3,(H3,17,18)
InChIKey
LBRYDJSLUJELGU-UHFFFAOYSA-N
Compound name
5-amino-2-octoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.19977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.207046 165.5
[M+Na]+ 286.188988 169.6
[M-H]- 262.192494 167.5
[M+NH4]+ 281.233593 180.9
[M+K]+ 302.162928 165.9
[M+H-H2O]+ 246.197030 157.8
[M+HCOO]- 308.197971 189.2
[M+CH3COO]- 322.213621 207.6
[M+Na-2H]- 284.174436 166.5
[M]+ 263.19922142 164.1
[M]- 263.20031858 164.1
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.