CID 90675

4-(2-aminopropyl)-2,6-xylenol hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC(=CC(=C1O)C)CC(C)N
InChI
InChI=1S/C11H17NO/c1-7-4-10(6-9(3)12)5-8(2)11(7)13/h4-5,9,13H,6,12H2,1-3H3
InChIKey
ZXGDIDJCGJRCPE-UHFFFAOYSA-N
Compound name
4-(2-aminopropyl)-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.7
[M+Na]+ 202.12023 152.5
[M+NH4]+ 197.16483 148.9
[M+K]+ 218.09417 146.8
[M-H]- 178.12373 143.1
[M+Na-2H]- 200.10568 146.1
[M]+ 179.13046 142.9
[M]- 179.13156 142.9
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.