CID 57474247

2c-cn hcl

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC1=CC(=C(C=C1CCN)OC)C#N
InChI
InChI=1S/C11H14N2O2/c1-14-10-6-9(7-13)11(15-2)5-8(10)3-4-12/h5-6H,3-4,12H2,1-2H3
InChIKey
OGWCKYKYGQORLF-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-2,5-dimethoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

206.10553 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.7
[M+Na]+ 229.09475 154.9
[M-H]- 205.09825 148.0
[M+NH4]+ 224.13935 161.9
[M+K]+ 245.06869 152.6
[M+H-H2O]+ 189.10279 132.3
[M+HCOO]- 251.10373 165.7
[M+CH3COO]- 265.11938 201.7
[M+Na-2H]- 227.08020 148.7
[M]+ 206.10498 142.2
[M]- 206.10608 142.2
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