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

23
Patents

205.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 147.0
[M+Na]+ 228.06649 152.2
[M-H]- 204.06999 147.1
[M+NH4]+ 223.11109 166.1
[M+K]+ 244.04043 151.8
[M+H-H2O]+ 188.07453 141.2
[M+HCOO]- 250.07547 163.6
[M+CH3COO]- 264.09112 185.8
[M+Na-2H]- 226.05194 146.4
[M]+ 205.07672 150.8
[M]- 205.07782 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