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 140.9
[M+Na]+ 220.09442 150.6
[M-H]- 196.09792 145.2
[M+NH4]+ 215.13902 160.8
[M+K]+ 236.06836 149.8
[M+H-H2O]+ 180.10246 135.1
[M+HCOO]- 242.10340 166.2
[M+CH3COO]- 256.11905 189.4
[M+Na-2H]- 218.07987 145.0
[M]+ 197.10465 145.3
[M]- 197.10575 145.3
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.