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

22
Patents

180.07211 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.079386 136.4
[M+Na]+ 203.061328 148.1
[M-H]- 179.064834 141.3
[M+NH4]+ 198.105933 161.1
[M+K]+ 219.035268 145.1
[M+H-H2O]+ 163.069370 131.3
[M+HCOO]- 225.070311 158.6
[M+CH3COO]- 239.085961 151.6
[M+Na-2H]- 201.046776 139.6
[M]+ 180.07156142 141.5
[M]- 180.07265858 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