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]+ 205.16992 147.7
[M+Na]+ 227.15186 153.8
[M-H]- 203.15536 152.2
[M+NH4]+ 222.19646 168.6
[M+K]+ 243.12580 150.4
[M+H-H2O]+ 187.15990 140.5
[M+HCOO]- 249.16084 169.6
[M+CH3COO]- 263.17649 187.1
[M+Na-2H]- 225.13731 151.6
[M]+ 204.16209 143.9
[M]- 204.16319 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.