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]+ 225.141996 152.5
[M+Na]+ 247.123938 159.6
[M-H]- 223.127444 158.1
[M+NH4]+ 242.168543 173.7
[M+K]+ 263.097878 156.5
[M+H-H2O]+ 207.131980 145.9
[M+HCOO]- 269.132921 170.9
[M+CH3COO]- 283.148571 190.5
[M+Na-2H]- 245.109386 150.6
[M]+ 224.13417142 152.9
[M]- 224.13526858 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.