CID 3718887

66487-31-8

Structural Information

Molecular Formula
C11H12N2
SMILES
C1CC2=CC=CC=C2N(C1)CC#N
InChI
InChI=1S/C11H12N2/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,8-9H2
InChIKey
TUCDZHYOISPGQH-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-quinolin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

172.10005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10733 136.4
[M+Na]+ 195.08927 145.8
[M-H]- 171.09277 138.3
[M+NH4]+ 190.13387 154.3
[M+K]+ 211.06321 140.5
[M+H-H2O]+ 155.09731 123.2
[M+HCOO]- 217.09825 152.8
[M+CH3COO]- 231.11390 147.6
[M+Na-2H]- 193.07472 143.6
[M]+ 172.09950 128.9
[M]- 172.10060 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe