CID 54595801

3-(1h-pyrazol-1-yl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C12H13N3
SMILES
C1C(CNC2=CC=CC=C21)N3C=CC=N3
InChI
InChI=1S/C12H13N3/c1-2-5-12-10(4-1)8-11(9-13-12)15-7-3-6-14-15/h1-7,11,13H,8-9H2
InChIKey
CATQCGCHENXPMP-UHFFFAOYSA-N
Compound name
3-pyrazol-1-yl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 144.8
[M+Na]+ 222.10017 158.4
[M+NH4]+ 217.14477 153.8
[M+K]+ 238.07411 152.6
[M-H]- 198.10367 147.7
[M+Na-2H]- 220.08562 152.5
[M]+ 199.11040 147.5
[M]- 199.11150 147.5
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.