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

5
Patents

175.10309 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.110366 141.1
[M+Na]+ 198.092308 146.4
[M-H]- 174.095814 141.2
[M+NH4]+ 193.136913 161.6
[M+K]+ 214.066248 145.2
[M+H-H2O]+ 158.100350 135.5
[M+HCOO]- 220.101291 158.0
[M+CH3COO]- 234.116941 183.2
[M+Na-2H]- 196.077756 141.4
[M]+ 175.10254142 143.6
[M]- 175.10363858 143.6
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