CID 3077698

Brn 4314660

Structural Information

Molecular Formula
C16H25NO2
SMILES
CCCCCCNC1=C(C=C(C=C1)C(=O)CCC)O
InChI
InChI=1S/C16H25NO2/c1-3-5-6-7-11-17-14-10-9-13(12-16(14)19)15(18)8-4-2/h9-10,12,17,19H,3-8,11H2,1-2H3
InChIKey
XSDQMVDMCDGBMC-UHFFFAOYSA-N
Compound name
1-[4-(hexylamino)-3-hydroxyphenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.5
[M+Na]+ 286.177758 170.4
[M-H]- 262.181264 167.1
[M+NH4]+ 281.222363 181.5
[M+K]+ 302.151698 166.8
[M+H-H2O]+ 246.185800 158.6
[M+HCOO]- 308.186741 186.8
[M+CH3COO]- 322.202391 201.1
[M+Na-2H]- 284.163206 167.0
[M]+ 263.18799142 167.6
[M]- 263.18908858 167.6
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.