CID 11229071

2-amino-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Structural Information

Molecular Formula
C10H11N3
SMILES
C1CCC2=NC(=C(C=C2C1)C#N)N
InChI
InChI=1S/C10H11N3/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h5H,1-4H2,(H2,12,13)
InChIKey
ZBOFTCWMOSKYLC-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

173.09529 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.10257 137.8
[M+Na]+ 196.08451 147.5
[M-H]- 172.08801 139.6
[M+NH4]+ 191.12911 155.4
[M+K]+ 212.05845 142.5
[M+H-H2O]+ 156.09255 124.8
[M+HCOO]- 218.09349 154.8
[M+CH3COO]- 232.10914 148.9
[M+Na-2H]- 194.06996 144.1
[M]+ 173.09474 128.8
[M]- 173.09584 128.8
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