CID 12542328

O-propan-2-yl butylcarbamothioate

Structural Information

Molecular Formula
C8H17NOS
SMILES
CCCCNC(=S)OC(C)C
InChI
InChI=1S/C8H17NOS/c1-4-5-6-9-8(11)10-7(2)3/h7H,4-6H2,1-3H3,(H,9,11)
InChIKey
AFRDNVFZWUCVKX-UHFFFAOYSA-N
Compound name
O-propan-2-yl N-butylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

175.10309 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.11037 141.6
[M+Na]+ 198.09231 149.6
[M+NH4]+ 193.13691 149.3
[M+K]+ 214.06625 142.7
[M-H]- 174.09581 141.4
[M+Na-2H]- 196.07776 143.6
[M]+ 175.10254 142.8
[M]- 175.10364 142.8
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