CID 79880613

1609578-56-4

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CNCCC1=CC2=CC=CS2
InChI
InChI=1S/C10H13NS/c1-2-10(12-7-1)8-9-3-5-11-6-4-9/h1-2,7-8,11H,3-6H2
InChIKey
AHPCEMXXUDAIHC-UHFFFAOYSA-N
Compound name
4-(thiophen-2-ylmethylidene)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 139.2
[M+Na]+ 202.06609 145.2
[M-H]- 178.06959 142.7
[M+NH4]+ 197.11069 159.3
[M+K]+ 218.04003 141.0
[M+H-H2O]+ 162.07413 132.8
[M+HCOO]- 224.07507 153.9
[M+CH3COO]- 238.09072 151.0
[M+Na-2H]- 200.05154 140.0
[M]+ 179.07632 133.8
[M]- 179.07742 133.8
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

No patent data available for this compound.