CID 5492298

Caproxamine

Structural Information

Molecular Formula
C15H25N3O
SMILES
CCCCC/C(=N\OCCN)/C1=CC(=C(C=C1)C)N
InChI
InChI=1S/C15H25N3O/c1-3-4-5-6-15(18-19-10-9-16)13-8-7-12(2)14(17)11-13/h7-8,11H,3-6,9-10,16-17H2,1-2H3/b18-15+
InChIKey
ZIWQJHATUBOOFD-OBGWFSINSA-N
Compound name
5-[(E)-N-(2-aminoethoxy)-C-pentylcarbonimidoyl]-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.20705 165.8
[M+Na]+ 286.18899 170.4
[M-H]- 262.19249 169.2
[M+NH4]+ 281.23359 182.1
[M+K]+ 302.16293 167.6
[M+H-H2O]+ 246.19703 157.9
[M+HCOO]- 308.19797 191.0
[M+CH3COO]- 322.21362 209.4
[M+Na-2H]- 284.17444 167.3
[M]+ 263.19922 166.2
[M]- 263.20032 166.2
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.