CID 19890067

4-(2-aminoethyl)-2,6-dimethylphenol hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC(=CC(=C1O)C)CCN
InChI
InChI=1S/C10H15NO/c1-7-5-9(3-4-11)6-8(2)10(7)12/h5-6,12H,3-4,11H2,1-2H3
InChIKey
LHPWOULSXAINFO-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

165.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.9
[M+Na]+ 188.10459 144.5
[M-H]- 164.10809 138.5
[M+NH4]+ 183.14919 156.3
[M+K]+ 204.07853 141.6
[M+H-H2O]+ 148.11263 130.7
[M+HCOO]- 210.11357 159.3
[M+CH3COO]- 224.12922 181.4
[M+Na-2H]- 186.09004 140.2
[M]+ 165.11482 135.2
[M]- 165.11592 135.2
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