CID 28420019

4-{[(prop-2-en-1-yl)amino]methyl}benzonitrile hydrochloride

Structural Information

Molecular Formula
C11H12N2
SMILES
C=CCNCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H12N2/c1-2-7-13-9-11-5-3-10(8-12)4-6-11/h2-6,13H,1,7,9H2
InChIKey
KGQGLITWGHURCA-UHFFFAOYSA-N
Compound name
4-[(prop-2-enylamino)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10005 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.107326 139.8
[M+Na]+ 195.089268 148.9
[M-H]- 171.092774 142.9
[M+NH4]+ 190.133873 157.9
[M+K]+ 211.063208 144.8
[M+H-H2O]+ 155.097310 127.3
[M+HCOO]- 217.098251 161.1
[M+CH3COO]- 231.113901 195.7
[M+Na-2H]- 193.074716 145.9
[M]+ 172.09950142 134.3
[M]- 172.10059858 134.3
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

No patent data available for this compound.