CID 23062042

(1-benzyl-4-methylpyrrolidin-3-yl)methanamine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1CN(CC1CN)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-11-8-15(10-13(11)7-14)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3
InChIKey
GLFBPDDMMVIVQJ-UHFFFAOYSA-N
Compound name
(1-benzyl-4-methylpyrrolidin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.3
[M+Na]+ 227.15186 154.3
[M-H]- 203.15536 152.8
[M+NH4]+ 222.19646 167.4
[M+K]+ 243.12580 150.7
[M+H-H2O]+ 187.15990 140.7
[M+HCOO]- 249.16084 170.1
[M+CH3COO]- 263.17649 188.7
[M+Na-2H]- 225.13731 150.4
[M]+ 204.16209 144.6
[M]- 204.16319 144.6
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