CID 7162052

335031-33-9

Structural Information

Molecular Formula
C9H12N2S
SMILES
CNCC1=CC2=C(N1C)C=CS2
InChI
InChI=1S/C9H12N2S/c1-10-6-7-5-9-8(11(7)2)3-4-12-9/h3-5,10H,6H2,1-2H3
InChIKey
FBVGJRQUPRKJPU-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-methylthieno[3,2-b]pyrrol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

180.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07939 136.4
[M+Na]+ 203.06133 148.1
[M-H]- 179.06483 141.3
[M+NH4]+ 198.10593 161.1
[M+K]+ 219.03527 145.1
[M+H-H2O]+ 163.06937 131.3
[M+HCOO]- 225.07031 158.6
[M+CH3COO]- 239.08596 151.6
[M+Na-2H]- 201.04678 139.6
[M]+ 180.07156 141.5
[M]- 180.07266 141.5
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

patents stripe