CID 12486801

(s)-(+)-2-(2,6-xylidinomethyl)pyrrolidine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C(=CC=C1)C)NC[C@@H]2CCCN2
InChI
InChI=1S/C13H20N2/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/t12-/m0/s1
InChIKey
UWCWUCKPEYNDNV-LBPRGKRZSA-N
Compound name
2,6-dimethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23686
Patents

204.16264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.2
[M+Na]+ 227.15186 153.8
[M-H]- 203.15536 151.9
[M+NH4]+ 222.19646 166.9
[M+K]+ 243.12580 149.6
[M+H-H2O]+ 187.15990 140.9
[M+HCOO]- 249.16084 169.1
[M+CH3COO]- 263.17649 186.7
[M+Na-2H]- 225.13731 150.9
[M]+ 204.16209 143.6
[M]- 204.16319 143.6
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

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