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]+ 212.12813 146.6
[M+Na]+ 234.11007 157.7
[M+NH4]+ 229.15467 153.7
[M+K]+ 250.08401 152.3
[M-H]- 210.11357 148.1
[M+Na-2H]- 232.09552 151.4
[M]+ 211.12030 148.4
[M]- 211.12140 148.4
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

patents stripe