CID 208089

31634-31-8

Structural Information

Molecular Formula
C10H15NOS
SMILES
CC(C)NC(C)C(=O)C1=CSC=C1
InChI
InChI=1S/C10H15NOS/c1-7(2)11-8(3)10(12)9-4-5-13-6-9/h4-8,11H,1-3H3
InChIKey
MSILGMGTJQESFL-UHFFFAOYSA-N
Compound name
2-(propan-2-ylamino)-1-thiophen-3-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.094706 146.5
[M+Na]+ 220.076648 152.2
[M-H]- 196.080154 150.1
[M+NH4]+ 215.121253 167.6
[M+K]+ 236.050588 150.6
[M+H-H2O]+ 180.084690 140.5
[M+HCOO]- 242.085631 164.3
[M+CH3COO]- 256.101281 186.8
[M+Na-2H]- 218.062096 145.3
[M]+ 197.08688142 147.8
[M]- 197.08797858 147.8
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.