CID 28426087

4-{[(2-methoxyethyl)amino]methyl}benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H14N2O
SMILES
COCCNCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14N2O/c1-14-7-6-13-9-11-4-2-10(8-12)3-5-11/h2-5,13H,6-7,9H2,1H3
InChIKey
OOTDDGILEBSZQG-UHFFFAOYSA-N
Compound name
4-[(2-methoxyethylamino)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

190.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.1
[M+Na]+ 213.09983 150.8
[M-H]- 189.10333 145.1
[M+NH4]+ 208.14443 159.5
[M+K]+ 229.07377 147.9
[M+H-H2O]+ 173.10787 129.3
[M+HCOO]- 235.10881 163.4
[M+CH3COO]- 249.12446 198.3
[M+Na-2H]- 211.08528 148.3
[M]+ 190.11006 138.5
[M]- 190.11116 138.5
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