CID 84651052

2361639-15-6

Structural Information

Molecular Formula
C10H12N2
SMILES
CNCCC1=CC=CC=C1C#N
InChI
InChI=1S/C10H12N2/c1-12-7-6-9-4-2-3-5-10(9)8-11/h2-5,12H,6-7H2,1H3
InChIKey
NRSLUJKSVBATBA-UHFFFAOYSA-N
Compound name
2-[2-(methylamino)ethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 135.8
[M+Na]+ 183.08927 145.0
[M-H]- 159.09277 139.0
[M+NH4]+ 178.13387 154.4
[M+K]+ 199.06321 141.8
[M+H-H2O]+ 143.09731 123.4
[M+HCOO]- 205.09825 157.2
[M+CH3COO]- 219.11390 193.8
[M+Na-2H]- 181.07472 142.5
[M]+ 160.09950 130.6
[M]- 160.10060 130.6
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

No patent data available for this compound.