CID 62513955

1808547-85-4

Structural Information

Molecular Formula
C12H20N2S
SMILES
CC1=CC=C(S1)CN2CCC(C2)CNC
InChI
InChI=1S/C12H20N2S/c1-10-3-4-12(15-10)9-14-6-5-11(8-14)7-13-2/h3-4,11,13H,5-9H2,1-2H3
InChIKey
CRDDNNOVRLXICC-UHFFFAOYSA-N
Compound name
N-methyl-1-[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 152.5
[M+Na]+ 247.12394 159.6
[M-H]- 223.12744 158.1
[M+NH4]+ 242.16854 173.7
[M+K]+ 263.09788 156.5
[M+H-H2O]+ 207.13198 145.9
[M+HCOO]- 269.13292 170.9
[M+CH3COO]- 283.14857 190.5
[M+Na-2H]- 245.10939 150.6
[M]+ 224.13417 152.9
[M]- 224.13527 152.9
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.