CID 28411076

4-[(2-methoxyethyl)amino]benzonitrile

Structural Information

Molecular Formula
C10H12N2O
SMILES
COCCNC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H12N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-7H2,1H3
InChIKey
SHRMGYFIADUFLE-UHFFFAOYSA-N
Compound name
4-(2-methoxyethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

176.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 138.1
[M+Na]+ 199.08418 147.2
[M-H]- 175.08768 141.3
[M+NH4]+ 194.12878 156.1
[M+K]+ 215.05812 144.5
[M+H-H2O]+ 159.09222 125.5
[M+HCOO]- 221.09316 159.8
[M+CH3COO]- 235.10881 195.6
[M+Na-2H]- 197.06963 144.8
[M]+ 176.09441 134.2
[M]- 176.09551 134.2
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