CID 63503983

3-methyl-1-(pyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1CC2=CC=CC=C2N(C1)C3CCNC3
InChI
InChI=1S/C14H20N2/c1-11-8-12-4-2-3-5-14(12)16(10-11)13-6-7-15-9-13/h2-5,11,13,15H,6-10H2,1H3
InChIKey
XVHNUQIVAVFLQU-UHFFFAOYSA-N
Compound name
3-methyl-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 152.0
[M+Na]+ 239.15186 157.3
[M-H]- 215.15536 154.4
[M+NH4]+ 234.19646 169.7
[M+K]+ 255.12580 152.4
[M+H-H2O]+ 199.15990 143.6
[M+HCOO]- 261.16084 167.0
[M+CH3COO]- 275.17649 162.4
[M+Na-2H]- 237.13731 154.1
[M]+ 216.16209 144.7
[M]- 216.16319 144.7
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.