CID 16784512

4-[(cyclopropylamino)methyl]benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC1NCC2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H12N2/c12-7-9-1-3-10(4-2-9)8-13-11-5-6-11/h1-4,11,13H,5-6,8H2
InChIKey
HJOGHIUFZSESGR-UHFFFAOYSA-N
Compound name
4-[(cyclopropylamino)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

172.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 141.3
[M+Na]+ 195.08927 154.3
[M+NH4]+ 190.13387 147.6
[M+K]+ 211.06321 145.5
[M-H]- 171.09277 144.7
[M+Na-2H]- 193.07472 149.1
[M]+ 172.09950 144.3
[M]- 172.10060 144.3
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