CID 120472

Resorcinol, 4-amino-6-hexyl-, hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCCCCC1=CC(=C(C=C1O)O)N
InChI
InChI=1S/C11H17NO2/c1-2-3-4-5-8-6-9(12)11(14)7-10(8)13/h6-7,13-14H,2-5,12H2,1H3
InChIKey
JCDAHDHIGIEQGG-UHFFFAOYSA-N
Compound name
4-amino-6-pentylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.3
[M+Na]+ 218.115148 151.9
[M-H]- 194.118654 145.2
[M+NH4]+ 213.159753 162.6
[M+K]+ 234.089088 148.4
[M+H-H2O]+ 178.123190 138.8
[M+HCOO]- 240.124131 166.0
[M+CH3COO]- 254.139781 184.1
[M+Na-2H]- 216.100596 147.5
[M]+ 195.12538142 143.4
[M]- 195.12647858 143.4
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.