CID 15282287

3-(1-aminoethyl)benzonitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC(C1=CC=CC(=C1)C#N)N
InChI
InChI=1S/C9H10N2/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5,7H,11H2,1H3
InChIKey
UTDRNGQVIRUPOC-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

146.0844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.091676 134.3
[M+Na]+ 169.073618 143.6
[M-H]- 145.077124 137.3
[M+NH4]+ 164.118223 153.1
[M+K]+ 185.047558 140.8
[M+H-H2O]+ 129.081660 122.2
[M+HCOO]- 191.082601 154.5
[M+CH3COO]- 205.098251 191.2
[M+Na-2H]- 167.059066 139.2
[M]+ 146.08385142 127.2
[M]- 146.08494858 127.2
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