CID 10866800

1-methyl-1,2,3,4-tetrahydroquinoline-4-carbonitrile

Structural Information

Molecular Formula
C11H12N2
SMILES
CN1CCC(C2=CC=CC=C21)C#N
InChI
InChI=1S/C11H12N2/c1-13-7-6-9(8-12)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3
InChIKey
ZGULSESLFUXZGL-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-quinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

172.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 141.2
[M+Na]+ 195.08927 154.4
[M+NH4]+ 190.13387 147.3
[M+K]+ 211.06321 143.6
[M-H]- 171.09277 136.8
[M+Na-2H]- 193.07472 145.2
[M]+ 172.09950 141.1
[M]- 172.10060 141.1
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