CID 972785

(3-chloro-4,5-diethoxyphenyl)methanamine

Structural Information

Molecular Formula
C11H16ClNO2
SMILES
CCOC1=C(C(=CC(=C1)CN)Cl)OCC
InChI
InChI=1S/C11H16ClNO2/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-6H,3-4,7,13H2,1-2H3
InChIKey
ZWDXKGWZHWHVHW-UHFFFAOYSA-N
Compound name
(3-chloro-4,5-diethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.08696 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09424 149.4
[M+Na]+ 252.07618 158.7
[M-H]- 228.07968 152.9
[M+NH4]+ 247.12078 168.7
[M+K]+ 268.05012 154.9
[M+H-H2O]+ 212.08422 144.3
[M+HCOO]- 274.08516 169.6
[M+CH3COO]- 288.10081 192.9
[M+Na-2H]- 250.06163 153.2
[M]+ 229.08641 154.4
[M]- 229.08751 154.4
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