CID 3048539

63915-96-8

Structural Information

Molecular Formula
C7H15NOS
SMILES
CC(C)SC(C)(C)C(=O)N
InChI
InChI=1S/C7H15NOS/c1-5(2)10-7(3,4)6(8)9/h5H,1-4H3,(H2,8,9)
InChIKey
PHUDGXZCRYIJCH-UHFFFAOYSA-N
Compound name
2-methyl-2-propan-2-ylsulfanylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 136.4
[M+Na]+ 184.076648 142.3
[M-H]- 160.080154 136.3
[M+NH4]+ 179.121253 157.1
[M+K]+ 200.050588 141.4
[M+H-H2O]+ 144.084690 131.6
[M+HCOO]- 206.085631 151.4
[M+CH3COO]- 220.101281 181.2
[M+Na-2H]- 182.062096 136.9
[M]+ 161.08688142 137.1
[M]- 161.08797858 137.1
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.