CID 12706843

N-(propan-2-yl)quinolin-3-amine

Structural Information

Molecular Formula
C12H14N2
SMILES
CC(C)NC1=CC2=CC=CC=C2N=C1
InChI
InChI=1S/C12H14N2/c1-9(2)14-11-7-10-5-3-4-6-12(10)13-8-11/h3-9,14H,1-2H3
InChIKey
PVIQJPNURFLZSD-UHFFFAOYSA-N
Compound name
N-propan-2-ylquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

186.11569 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.2
[M+Na]+ 209.104908 147.6
[M-H]- 185.108414 143.3
[M+NH4]+ 204.149513 159.5
[M+K]+ 225.078848 144.4
[M+H-H2O]+ 169.112950 133.1
[M+HCOO]- 231.113891 162.4
[M+CH3COO]- 245.129541 187.2
[M+Na-2H]- 207.090356 148.7
[M]+ 186.11514142 139.5
[M]- 186.11623858 139.5
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

patents stripe