CID 3036898

86329-09-1

Structural Information

Molecular Formula
C8H15NOS
SMILES
CC(C)COC(=S)NCC=C
InChI
InChI=1S/C8H15NOS/c1-4-5-9-8(11)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,11)
InChIKey
QZIXRDNEWUYYCY-UHFFFAOYSA-N
Compound name
O-(2-methylpropyl) N-prop-2-enylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

173.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 139.9
[M+Na]+ 196.076648 145.5
[M-H]- 172.080154 140.0
[M+NH4]+ 191.121253 160.4
[M+K]+ 212.050588 143.7
[M+H-H2O]+ 156.084690 134.4
[M+HCOO]- 218.085631 156.9
[M+CH3COO]- 232.101281 182.3
[M+Na-2H]- 194.062096 140.2
[M]+ 173.08688142 141.7
[M]- 173.08797858 141.7
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