CID 4641088

42967-27-1

Structural Information

Molecular Formula
C10H12N2
SMILES
CN(C)CC1=CC(=CC=C1)C#N
InChI
InChI=1S/C10H12N2/c1-12(2)8-10-5-3-4-9(6-10)7-11/h3-6H,8H2,1-2H3
InChIKey
CWBMFVGIEVNOTQ-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

160.10005 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe