CID 75481910

(1-benzyl-2-methylpyrrolidin-2-yl)methanamine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1(CCCN1CC2=CC=CC=C2)CN
InChI
InChI=1S/C13H20N2/c1-13(11-14)8-5-9-15(13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3
InChIKey
CXOCJFUGPZTFSC-UHFFFAOYSA-N
Compound name
(1-benzyl-2-methylpyrrolidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.7
[M+Na]+ 227.151858 153.8
[M-H]- 203.155364 152.2
[M+NH4]+ 222.196463 168.6
[M+K]+ 243.125798 150.4
[M+H-H2O]+ 187.159900 140.5
[M+HCOO]- 249.160841 169.6
[M+CH3COO]- 263.176491 187.1
[M+Na-2H]- 225.137306 151.6
[M]+ 204.16209142 143.9
[M]- 204.16318858 143.9
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.