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

2
Patents

197.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.112476 140.9
[M+Na]+ 220.094418 150.6
[M-H]- 196.097924 145.2
[M+NH4]+ 215.139023 160.8
[M+K]+ 236.068358 149.8
[M+H-H2O]+ 180.102460 135.1
[M+HCOO]- 242.103401 166.2
[M+CH3COO]- 256.119051 189.4
[M+Na-2H]- 218.079866 145.0
[M]+ 197.10465142 145.3
[M]- 197.10574858 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

patents stripe