CID 688109

(2,4,6-trimethoxyphenyl)methanamine

Structural Information

Molecular Formula
C10H15NO3
SMILES
COC1=CC(=C(C(=C1)OC)CN)OC
InChI
InChI=1S/C10H15NO3/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-5H,6,11H2,1-3H3
InChIKey
MEWBOZDQQISMJM-UHFFFAOYSA-N
Compound name
(2,4,6-trimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

391
Patents

197.1052 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 141.3
[M+Na]+ 220.09442 150.1
[M-H]- 196.09792 145.2
[M+NH4]+ 215.13902 160.9
[M+K]+ 236.06836 149.2
[M+H-H2O]+ 180.10246 135.3
[M+HCOO]- 242.10340 166.6
[M+CH3COO]- 256.11905 188.2
[M+Na-2H]- 218.07987 146.2
[M]+ 197.10465 145.4
[M]- 197.10575 145.4
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