CID 22476146

4-(aminomethyl)-2-methoxybenzonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
COC1=C(C=CC(=C1)CN)C#N
InChI
InChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,5,10H2,1H3
InChIKey
ODJRWUOXUGLZHT-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-2-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

162.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 134.8
[M+Na]+ 185.06854 145.1
[M-H]- 161.07204 138.1
[M+NH4]+ 180.11314 153.4
[M+K]+ 201.04248 142.5
[M+H-H2O]+ 145.07658 122.7
[M+HCOO]- 207.07752 156.2
[M+CH3COO]- 221.09317 193.3
[M+Na-2H]- 183.05399 140.3
[M]+ 162.07877 130.0
[M]- 162.07987 130.0
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