CID 39355

Phenol, 4-[(dimethylamino)methyl]-2,6-dimethyl-

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=CC(=CC(=C1O)C)CN(C)C
InChI
InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)6-9(2)11(8)13/h5-6,13H,7H2,1-4H3
InChIKey
LCWKIAHCEIHHJE-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

99
Patents

179.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 139.3
[M+Na]+ 202.12023 147.6
[M-H]- 178.12373 143.8
[M+NH4]+ 197.16483 160.1
[M+K]+ 218.09417 146.3
[M+H-H2O]+ 162.12827 133.8
[M+HCOO]- 224.12921 163.5
[M+CH3COO]- 238.14486 188.6
[M+Na-2H]- 200.10568 143.5
[M]+ 179.13046 141.2
[M]- 179.13156 141.2
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