CID 121050

2,6-xylenol, alpha-(dimethylamino)-, hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=C(C(=CC=C1)CN(C)C)O
InChI
InChI=1S/C10H15NO/c1-8-5-4-6-9(10(8)12)7-11(2)3/h4-6,12H,7H2,1-3H3
InChIKey
ADODSZXYDVUXTG-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

165.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.3
[M+Na]+ 188.10459 143.1
[M-H]- 164.10809 139.5
[M+NH4]+ 183.14919 156.3
[M+K]+ 204.07853 142.0
[M+H-H2O]+ 148.11263 129.7
[M+HCOO]- 210.11357 159.9
[M+CH3COO]- 224.12922 184.3
[M+Na-2H]- 186.09004 140.7
[M]+ 165.11482 136.5
[M]- 165.11592 136.5
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