CID 10680008

4-(3-aminopropyl)-2,6-dimethoxyphenol hydrochloride

Structural Information

Molecular Formula
C11H17NO3
SMILES
COC1=CC(=CC(=C1O)OC)CCCN
InChI
InChI=1S/C11H17NO3/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,13H,3-5,12H2,1-2H3
InChIKey
GSVYQKPSPVNUNT-UHFFFAOYSA-N
Compound name
4-(3-aminopropyl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

211.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 146.6
[M+Na]+ 234.110068 154.5
[M-H]- 210.113574 148.8
[M+NH4]+ 229.154673 164.8
[M+K]+ 250.084008 152.4
[M+H-H2O]+ 194.118110 140.5
[M+HCOO]- 256.119051 170.0
[M+CH3COO]- 270.134701 188.7
[M+Na-2H]- 232.095516 150.3
[M]+ 211.12030142 149.1
[M]- 211.12139858 149.1
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

patents stripe