CID 436153

58255-18-8

Structural Information

Molecular Formula
C6H9NS
SMILES
CNCC1=CC=CS1
InChI
InChI=1S/C6H9NS/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3
InChIKey
TTXJMSRLGMWEJZ-UHFFFAOYSA-N
Compound name
N-methyl-1-thiophen-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

488
Patents

127.04557 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 123.4
[M+Na]+ 150.03479 131.7
[M-H]- 126.03829 127.6
[M+NH4]+ 145.07939 147.8
[M+K]+ 166.00873 129.9
[M+H-H2O]+ 110.04283 118.2
[M+HCOO]- 172.04377 145.3
[M+CH3COO]- 186.05942 171.2
[M+Na-2H]- 148.02024 127.7
[M]+ 127.04502 124.5
[M]- 127.04612 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe