CID 54131338

(4-methylthiophen-3-yl)methanamine

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1=CSC=C1CN
InChI
InChI=1S/C6H9NS/c1-5-3-8-4-6(5)2-7/h3-4H,2,7H2,1H3
InChIKey
NUOZTFAOKMVNAU-UHFFFAOYSA-N
Compound name
(4-methylthiophen-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

127.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05285 124.2
[M+Na]+ 150.03479 135.0
[M+NH4]+ 145.07939 134.3
[M+K]+ 166.00873 128.6
[M-H]- 126.03829 127.2
[M+Na-2H]- 148.02024 129.8
[M]+ 127.04502 127.0
[M]- 127.04612 127.0
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