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]+ 173.107326 133.6
[M+Na]+ 195.089268 148.4
[M-H]- 171.092774 142.0
[M+NH4]+ 190.133873 149.2
[M+K]+ 211.063208 141.3
[M+H-H2O]+ 155.097310 123.5
[M+HCOO]- 217.098251 157.1
[M+CH3COO]- 231.113901 197.8
[M+Na-2H]- 193.074716 142.2
[M]+ 172.09950142 131.8
[M]- 172.10059858 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