CID 22639

3-methylamino-4-methylphenol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C=C(C=C1)O)NC
InChI
InChI=1S/C8H11NO/c1-6-3-4-7(10)5-8(6)9-2/h3-5,9-10H,1-2H3
InChIKey
QQOKUOJOGXTCMN-UHFFFAOYSA-N
Compound name
4-methyl-3-(methylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

137.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.3
[M+Na]+ 160.07328 134.8
[M-H]- 136.07678 129.4
[M+NH4]+ 155.11788 147.7
[M+K]+ 176.04722 132.7
[M+H-H2O]+ 120.08132 121.3
[M+HCOO]- 182.08226 151.0
[M+CH3COO]- 196.09791 174.7
[M+Na-2H]- 158.05873 133.5
[M]+ 137.08351 125.5
[M]- 137.08461 125.5
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