CID 18525869

N-methyl-4-(pyrrolidin-1-ylmethyl)benzylamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

204.16264 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 147.8
[M+Na]+ 227.151858 152.8
[M-H]- 203.155364 152.3
[M+NH4]+ 222.196463 166.8
[M+K]+ 243.125798 149.5
[M+H-H2O]+ 187.159900 139.8
[M+HCOO]- 249.160841 170.2
[M+CH3COO]- 263.176491 188.2
[M+Na-2H]- 225.137306 151.6
[M]+ 204.16209142 144.6
[M]- 204.16318858 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

literature stripe

Patent stripe

patents stripe