CID 3034440

Carbamic acid, ((2-methylpropoxy)thioxomethyl)-, ethyl ester

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CCOC(=O)NC(=S)OCC(C)C
InChI
InChI=1S/C8H15NO3S/c1-4-11-7(10)9-8(13)12-5-6(2)3/h6H,4-5H2,1-3H3,(H,9,10,13)
InChIKey
XNMRLZYOSGDPRB-UHFFFAOYSA-N
Compound name
ethyl N-(2-methylpropoxycarbothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

205.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.084546 147.0
[M+Na]+ 228.066488 152.2
[M-H]- 204.069994 147.1
[M+NH4]+ 223.111093 166.1
[M+K]+ 244.040428 151.8
[M+H-H2O]+ 188.074530 141.2
[M+HCOO]- 250.075471 163.6
[M+CH3COO]- 264.091121 185.8
[M+Na-2H]- 226.051936 146.4
[M]+ 205.07672142 150.8
[M]- 205.07781858 150.8
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

patents stripe