CID 4962636

2-[(dimethylamino)methyl]benzonitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CN(C)CC1=CC=CC=C1C#N
InChI
InChI=1S/C10H12N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,8H2,1-2H3
InChIKey
LCBWEMRQKBKAEN-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

160.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 135.9
[M+Na]+ 183.089268 145.2
[M-H]- 159.092774 140.4
[M+NH4]+ 178.133873 155.1
[M+K]+ 199.063208 143.2
[M+H-H2O]+ 143.097310 123.3
[M+HCOO]- 205.098251 157.8
[M+CH3COO]- 219.113901 197.0
[M+Na-2H]- 181.074716 141.8
[M]+ 160.09950142 131.8
[M]- 160.10059858 131.8
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