CID 826329

4-[(dimethylamino)methyl]benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

114
Patents

160.10005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 135.9
[M+Na]+ 183.08927 145.2
[M-H]- 159.09277 140.4
[M+NH4]+ 178.13387 155.1
[M+K]+ 199.06321 143.2
[M+H-H2O]+ 143.09731 123.3
[M+HCOO]- 205.09825 157.8
[M+CH3COO]- 219.11390 197.0
[M+Na-2H]- 181.07472 141.8
[M]+ 160.09950 131.8
[M]- 160.10060 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