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]+ 156.08415 133.2
[M+Na]+ 178.06609 141.2
[M-H]- 154.06959 136.9
[M+NH4]+ 173.11069 156.4
[M+K]+ 194.04003 138.9
[M+H-H2O]+ 138.07413 127.9
[M+HCOO]- 200.07507 152.7
[M+CH3COO]- 214.09072 178.4
[M+Na-2H]- 176.05154 133.6
[M]+ 155.07632 133.7
[M]- 155.07742 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