CID 54537491

2-[2-(dimethylamino)phenyl]acetonitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CN(C)C1=CC=CC=C1CC#N
InChI
InChI=1S/C10H12N2/c1-12(2)10-6-4-3-5-9(10)7-8-11/h3-6H,7H2,1-2H3
InChIKey
ZAUZKWFIZISABW-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

160.10005 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe