CID 16495113

1-(5-methylthiophen-2-yl)propan-2-amine

Structural Information

Molecular Formula
C8H13NS
SMILES
CC1=CC=C(S1)CC(C)N
InChI
InChI=1S/C8H13NS/c1-6(9)5-8-4-3-7(2)10-8/h3-4,6H,5,9H2,1-2H3
InChIKey
HETNGCXNWLZADN-UHFFFAOYSA-N
Compound name
1-(5-methylthiophen-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

155.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 133.2
[M+Na]+ 178.066088 141.2
[M-H]- 154.069594 136.9
[M+NH4]+ 173.110693 156.4
[M+K]+ 194.040028 138.9
[M+H-H2O]+ 138.074130 127.9
[M+HCOO]- 200.075071 152.7
[M+CH3COO]- 214.090721 178.4
[M+Na-2H]- 176.051536 133.6
[M]+ 155.07632142 133.7
[M]- 155.07741858 133.7
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