CID 23250125

2,4,5-trimethoxy-3-methylaniline

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC1=C(C(=CC(=C1OC)OC)N)OC
InChI
InChI=1S/C10H15NO3/c1-6-9(13-3)7(11)5-8(12-2)10(6)14-4/h5H,11H2,1-4H3
InChIKey
RMKTWEGESQSYBS-UHFFFAOYSA-N
Compound name
2,4,5-trimethoxy-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 141.4
[M+Na]+ 220.09442 153.7
[M+NH4]+ 215.13902 149.1
[M+K]+ 236.06836 148.4
[M-H]- 196.09792 143.6
[M+Na-2H]- 218.07987 146.9
[M]+ 197.10465 143.7
[M]- 197.10575 143.7
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

No patent data available for this compound.