CID 4313442

(5-methylthiophen-2-yl)methanamine

Structural Information

Molecular Formula
C6H9NS
SMILES
CC1=CC=C(S1)CN
InChI
InChI=1S/C6H9NS/c1-5-2-3-6(4-7)8-5/h2-3H,4,7H2,1H3
InChIKey
XCBYYXLOEBELSB-UHFFFAOYSA-N
Compound name
(5-methylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

127.04557 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe