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]+ 173.10733 139.8
[M+Na]+ 195.08927 148.9
[M-H]- 171.09277 142.9
[M+NH4]+ 190.13387 157.9
[M+K]+ 211.06321 144.8
[M+H-H2O]+ 155.09731 127.3
[M+HCOO]- 217.09825 161.1
[M+CH3COO]- 231.11390 195.7
[M+Na-2H]- 193.07472 145.9
[M]+ 172.09950 134.3
[M]- 172.10060 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.