CID 18525873

N-methyl-3-[(pyrrolidin-1-y)lmethyl]benzylamine

Structural Information

Molecular Formula
C13H20N2
SMILES
CNCC1=CC(=CC=C1)CN2CCCC2
InChI
InChI=1S/C13H20N2/c1-14-10-12-5-4-6-13(9-12)11-15-7-2-3-8-15/h4-6,9,14H,2-3,7-8,10-11H2,1H3
InChIKey
KLOQOEPFPGJWNP-UHFFFAOYSA-N
Compound name
N-methyl-1-[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 147.8
[M+Na]+ 227.15186 152.8
[M-H]- 203.15536 152.3
[M+NH4]+ 222.19646 166.8
[M+K]+ 243.12580 149.5
[M+H-H2O]+ 187.15990 139.8
[M+HCOO]- 249.16084 170.2
[M+CH3COO]- 263.17649 188.2
[M+Na-2H]- 225.13731 151.6
[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