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

11
Patents

173.08743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09471 139.9
[M+Na]+ 196.07665 145.5
[M-H]- 172.08015 140.0
[M+NH4]+ 191.12125 160.4
[M+K]+ 212.05059 143.7
[M+H-H2O]+ 156.08469 134.4
[M+HCOO]- 218.08563 156.9
[M+CH3COO]- 232.10128 182.3
[M+Na-2H]- 194.06210 140.2
[M]+ 173.08688 141.7
[M]- 173.08798 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