CID 61077840

Methyl[1-(thiophen-3-yl)propan-2-yl]amine hydrochloride

Structural Information

Molecular Formula
C8H13NS
SMILES
CC(CC1=CSC=C1)NC
InChI
InChI=1S/C8H13NS/c1-7(9-2)5-8-3-4-10-6-8/h3-4,6-7,9H,5H2,1-2H3
InChIKey
KFFOOPYCWWXODT-UHFFFAOYSA-N
Compound name
N-methyl-1-thiophen-3-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 133.4
[M+Na]+ 178.06609 140.5
[M-H]- 154.06959 137.3
[M+NH4]+ 173.11069 156.6
[M+K]+ 194.04003 138.6
[M+H-H2O]+ 138.07413 127.8
[M+HCOO]- 200.07507 153.6
[M+CH3COO]- 214.09072 178.0
[M+Na-2H]- 176.05154 135.5
[M]+ 155.07632 134.6
[M]- 155.07742 134.6
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