CID 546189

2-(2,2-dimethylpropyl)thiophene

Structural Information

Molecular Formula
C9H14S
SMILES
CC(C)(C)CC1=CC=CS1
InChI
InChI=1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3
InChIKey
CKEFAAZAPOLRPW-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpropyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

427
Patents

154.08162 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.088896 134.2
[M+Na]+ 177.070838 142.7
[M-H]- 153.074344 138.5
[M+NH4]+ 172.115443 158.2
[M+K]+ 193.044778 140.8
[M+H-H2O]+ 137.078880 129.7
[M+HCOO]- 199.079821 152.8
[M+CH3COO]- 213.095471 175.2
[M+Na-2H]- 175.056286 137.2
[M]+ 154.08107142 136.7
[M]- 154.08216858 136.7
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