CID 3034325

Carbamothioic acid, methyl-, o-(1-methylethyl) ester

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC(C)OC(=S)NC
InChI
InChI=1S/C5H11NOS/c1-4(2)7-5(8)6-3/h4H,1-3H3,(H,6,8)
InChIKey
RTXYXJGGTDHOGH-UHFFFAOYSA-N
Compound name
O-propan-2-yl N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

133.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06342 128.8
[M+Na]+ 156.04536 137.4
[M+NH4]+ 151.08996 137.0
[M+K]+ 172.01930 131.1
[M-H]- 132.04886 128.7
[M+Na-2H]- 154.03081 131.5
[M]+ 133.05559 130.1
[M]- 133.05669 130.1
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