CID 3072402

(+-)-1-(2,3-dimethylphenyl)-2-pyrrolidinemethanamine monohydrochloride

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C(=CC=C1)N2CCCC2CN)C
InChI
InChI=1S/C13H20N2/c1-10-5-3-7-13(11(10)2)15-8-4-6-12(15)9-14/h3,5,7,12H,4,6,8-9,14H2,1-2H3
InChIKey
TZLPUKGAHQULMF-UHFFFAOYSA-N
Compound name
[1-(2,3-dimethylphenyl)pyrrolidin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.3
[M+Na]+ 227.15186 155.3
[M-H]- 203.15536 153.3
[M+NH4]+ 222.19646 167.8
[M+K]+ 243.12580 151.7
[M+H-H2O]+ 187.15990 141.1
[M+HCOO]- 249.16084 170.1
[M+CH3COO]- 263.17649 189.8
[M+Na-2H]- 225.13731 149.7
[M]+ 204.16209 145.0
[M]- 204.16319 145.0
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.