CID 54548172

2-methyl-n-(2-thienylmethylene)propylamine

Structural Information

Molecular Formula
C9H13NS
SMILES
CC(C)CN=CC1=CC=CS1
InChI
InChI=1S/C9H13NS/c1-8(2)6-10-7-9-4-3-5-11-9/h3-5,7-8H,6H2,1-2H3
InChIKey
ZIASKGNEMKVMNA-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)-1-thiophen-2-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.07687 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.084146 137.1
[M+Na]+ 190.066088 144.6
[M-H]- 166.069594 142.3
[M+NH4]+ 185.110693 160.5
[M+K]+ 206.040028 142.8
[M+H-H2O]+ 150.074130 131.1
[M+HCOO]- 212.075071 158.7
[M+CH3COO]- 226.090721 182.1
[M+Na-2H]- 188.051536 139.0
[M]+ 167.07632142 139.7
[M]- 167.07741858 139.7
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