CID 3056597

73812-02-9

Structural Information

Molecular Formula
C10H15NOS
SMILES
CCC(C)C(C1=CSC=C1)C(=O)N
InChI
InChI=1S/C10H15NOS/c1-3-7(2)9(10(11)12)8-4-5-13-6-8/h4-7,9H,3H2,1-2H3,(H2,11,12)
InChIKey
ULJJMCWSICWMIR-UHFFFAOYSA-N
Compound name
3-methyl-2-thiophen-3-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09471 146.9
[M+Na]+ 220.07665 152.6
[M-H]- 196.08015 149.9
[M+NH4]+ 215.12125 167.7
[M+K]+ 236.05059 150.6
[M+H-H2O]+ 180.08469 140.9
[M+HCOO]- 242.08563 164.0
[M+CH3COO]- 256.10128 186.1
[M+Na-2H]- 218.06210 144.6
[M]+ 197.08688 147.2
[M]- 197.08798 147.2
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.