CID 54131338

104163-38-4

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 123.3
[M+Na]+ 150.03479 132.5
[M-H]- 126.03829 127.3
[M+NH4]+ 145.07939 147.7
[M+K]+ 166.00873 130.3
[M+H-H2O]+ 110.04283 118.4
[M+HCOO]- 172.04377 144.6
[M+CH3COO]- 186.05942 171.5
[M+Na-2H]- 148.02024 125.9
[M]+ 127.04502 123.8
[M]- 127.04612 123.8
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