CID 383123

Nsc671164

Structural Information

Molecular Formula
C11H20NO3PS
SMILES
CC1=CSC(=N1)CP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C11H20NO3PS/c1-8(2)14-16(13,15-9(3)4)6-11-12-10(5)7-17-11/h7-9H,6H2,1-5H3
InChIKey
LOUKCFKCTPCHLU-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphorylmethyl]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.09015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09743 162.8
[M+Na]+ 300.07937 169.4
[M-H]- 276.08287 164.3
[M+NH4]+ 295.12397 180.7
[M+K]+ 316.05331 168.9
[M+H-H2O]+ 260.08741 154.3
[M+HCOO]- 322.08835 183.7
[M+CH3COO]- 336.10400 199.0
[M+Na-2H]- 298.06482 159.2
[M]+ 277.08960 170.3
[M]- 277.09070 170.3
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

No patent data available for this compound.