CID 8389

3-(dimethylamino)-4-methylphenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(C=C(C=C1)O)N(C)C
InChI
InChI=1S/C9H13NO/c1-7-4-5-8(11)6-9(7)10(2)3/h4-6,11H,1-3H3
InChIKey
ZQFUXWBKBSWKON-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

151.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.6
[M+Na]+ 174.088938 138.8
[M-H]- 150.092444 135.0
[M+NH4]+ 169.133543 152.1
[M+K]+ 190.062878 137.9
[M+H-H2O]+ 134.096980 125.2
[M+HCOO]- 196.097921 155.5
[M+CH3COO]- 210.113571 181.3
[M+Na-2H]- 172.074386 136.5
[M]+ 151.09917142 131.4
[M]- 151.10026858 131.4
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