CID 55282816

4-(1-aminoethyl)-2-methylbenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

160.10005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 137.0
[M+Na]+ 183.08927 148.7
[M+NH4]+ 178.13387 142.3
[M+K]+ 199.06321 139.5
[M-H]- 159.09277 132.6
[M+Na-2H]- 181.07472 141.0
[M]+ 160.09950 136.5
[M]- 160.10060 136.5
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