CID 71341064

O-propan-2-yl propylcarbamothioate

Structural Information

Molecular Formula
C7H15NOS
SMILES
CCCNC(=S)OC(C)C
InChI
InChI=1S/C7H15NOS/c1-4-5-8-7(10)9-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)
InChIKey
FWJOCWFRSGXNIZ-UHFFFAOYSA-N
Compound name
O-propan-2-yl N-propylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

161.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09471 136.6
[M+Na]+ 184.07665 142.4
[M-H]- 160.08015 136.9
[M+NH4]+ 179.12125 157.7
[M+K]+ 200.05059 141.4
[M+H-H2O]+ 144.08469 131.2
[M+HCOO]- 206.08563 153.8
[M+CH3COO]- 220.10128 180.2
[M+Na-2H]- 182.06210 137.5
[M]+ 161.08688 138.7
[M]- 161.08798 138.7
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