CID 3072431

142469-89-4

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C=C(C=C1)N2CCCC2CN)C
InChI
InChI=1S/C13H20N2/c1-10-5-6-12(8-11(10)2)15-7-3-4-13(15)9-14/h5-6,8,13H,3-4,7,9,14H2,1-2H3
InChIKey
IYOLZMIRBJZMFZ-UHFFFAOYSA-N
Compound name
[1-(3,4-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]+ 205.169916 148.3
[M+Na]+ 227.151858 155.3
[M-H]- 203.155364 153.3
[M+NH4]+ 222.196463 167.8
[M+K]+ 243.125798 151.7
[M+H-H2O]+ 187.159900 141.1
[M+HCOO]- 249.160841 170.1
[M+CH3COO]- 263.176491 189.8
[M+Na-2H]- 225.137306 149.7
[M]+ 204.16209142 145.0
[M]- 204.16318858 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.