CID 6485297

869472-59-3

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CC1C2C3=C(CCN2)SC=C3
InChI
InChI=1S/C10H13NS/c1-2-7(1)10-8-4-6-12-9(8)3-5-11-10/h4,6-7,10-11H,1-3,5H2
InChIKey
YLISNFNPLLPBMW-UHFFFAOYSA-N
Compound name
4-cyclopropyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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 133.6
[M+Na]+ 202.06609 143.0
[M-H]- 178.06959 139.0
[M+NH4]+ 197.11069 150.3
[M+K]+ 218.04003 138.5
[M+H-H2O]+ 162.07413 127.7
[M+HCOO]- 224.07507 148.6
[M+CH3COO]- 238.09072 146.1
[M+Na-2H]- 200.05154 136.4
[M]+ 179.07632 133.4
[M]- 179.07742 133.4
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