CID 3041610

(1-oxododecyl)phosphoramidothioic acid o,s-dimethyl ester

Structural Information

Molecular Formula
C14H30NO3PS
SMILES
CCCCCCCCCCCC(=O)NP(=O)(OC)SC
InChI
InChI=1S/C14H30NO3PS/c1-4-5-6-7-8-9-10-11-12-13-14(16)15-19(17,18-2)20-3/h4-13H2,1-3H3,(H,15,16,17)
InChIKey
JHBSZXRSSGGOTH-UHFFFAOYSA-N
Compound name
N-[methoxy(methylsulfanyl)phosphoryl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17568 181.2
[M+Na]+ 346.15762 184.0
[M-H]- 322.16112 178.9
[M+NH4]+ 341.20222 196.3
[M+K]+ 362.13156 181.4
[M+H-H2O]+ 306.16566 172.0
[M+HCOO]- 368.16660 202.0
[M+CH3COO]- 382.18225 211.4
[M+Na-2H]- 344.14307 177.8
[M]+ 323.16785 189.7
[M]- 323.16895 189.7
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

No patent data available for this compound.