CID 542017

4-(3-aminobutyl)-2-methoxyphenol hydrochloride

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC(CCC1=CC(=C(C=C1)O)OC)N
InChI
InChI=1S/C11H17NO2/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,13H,3-4,12H2,1-2H3
InChIKey
ONNSYMOPMFOHHE-UHFFFAOYSA-N
Compound name
4-(3-aminobutyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

195.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.5
[M+Na]+ 218.11515 151.3
[M-H]- 194.11865 146.5
[M+NH4]+ 213.15975 163.1
[M+K]+ 234.08909 149.2
[M+H-H2O]+ 178.12319 138.6
[M+HCOO]- 240.12413 166.7
[M+CH3COO]- 254.13978 186.2
[M+Na-2H]- 216.10060 147.6
[M]+ 195.12538 144.5
[M]- 195.12648 144.5
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