CID 22046286

4-[(dimethylamino)methyl]-2-methoxyaniline

Structural Information

Molecular Formula
C10H16N2O
SMILES
CN(C)CC1=CC(=C(C=C1)N)OC
InChI
InChI=1S/C10H16N2O/c1-12(2)7-8-4-5-9(11)10(6-8)13-3/h4-6H,7,11H2,1-3H3
InChIKey
DPQIBVKVVGXAPI-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

180.12627 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 139.9
[M+Na]+ 203.11549 151.3
[M+NH4]+ 198.16009 148.5
[M+K]+ 219.08943 145.4
[M-H]- 179.11899 143.5
[M+Na-2H]- 201.10094 146.6
[M]+ 180.12572 142.4
[M]- 180.12682 142.4
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