CID 246662

2-(diethylaminomethyl)-3,6-dimethylphenol

Structural Information

Molecular Formula
C13H21NO
SMILES
CCN(CC)CC1=C(C=CC(=C1O)C)C
InChI
InChI=1S/C13H21NO/c1-5-14(6-2)9-12-10(3)7-8-11(4)13(12)15/h7-8,15H,5-6,9H2,1-4H3
InChIKey
HMLGJNITDIMQCI-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)-3,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.16959 148.8
[M+Na]+ 230.15153 156.2
[M-H]- 206.15503 152.8
[M+NH4]+ 225.19613 168.4
[M+K]+ 246.12547 154.4
[M+H-H2O]+ 190.15957 142.8
[M+HCOO]- 252.16051 172.3
[M+CH3COO]- 266.17616 194.6
[M+Na-2H]- 228.13698 151.8
[M]+ 207.16176 151.4
[M]- 207.16286 151.4
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