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 133.6
[M+Na]+ 195.08927 148.4
[M-H]- 171.09277 142.0
[M+NH4]+ 190.13387 149.2
[M+K]+ 211.06321 141.3
[M+H-H2O]+ 155.09731 123.5
[M+HCOO]- 217.09825 157.1
[M+CH3COO]- 231.11390 197.8
[M+Na-2H]- 193.07472 142.2
[M]+ 172.09950 131.8
[M]- 172.10060 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