CID 3159240

56072-60-7

Structural Information

Molecular Formula
C8H13NS
SMILES
CC(C)C(C1=CC=CS1)N
InChI
InChI=1S/C8H13NS/c1-6(2)8(9)7-4-3-5-10-7/h3-6,8H,9H2,1-2H3
InChIKey
VJVICAYVXMSTAM-UHFFFAOYSA-N
Compound name
2-methyl-1-thiophen-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

155.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 134.5
[M+Na]+ 178.06609 141.3
[M-H]- 154.06959 137.9
[M+NH4]+ 173.11069 157.3
[M+K]+ 194.04003 139.5
[M+H-H2O]+ 138.07413 129.0
[M+HCOO]- 200.07507 153.0
[M+CH3COO]- 214.09072 178.1
[M+Na-2H]- 176.05154 134.4
[M]+ 155.07632 134.0
[M]- 155.07742 134.0
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