CID 3034325

Carbamothioic acid, n-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

41
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 127.6
[M+Na]+ 156.04536 134.2
[M-H]- 132.04886 128.3
[M+NH4]+ 151.08996 149.8
[M+K]+ 172.01930 133.8
[M+H-H2O]+ 116.05340 122.6
[M+HCOO]- 178.05434 145.4
[M+CH3COO]- 192.06999 174.2
[M+Na-2H]- 154.03081 129.4
[M]+ 133.05559 129.0
[M]- 133.05669 129.0
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