CID 6507120

American cyanamid 47,772

Structural Information

Molecular Formula
C6H12NO3PS2
SMILES
CC1CS/C(=N/P(=O)(OC)OC)/S1
InChI
InChI=1S/C6H12NO3PS2/c1-5-4-12-6(13-5)7-11(8,9-2)10-3/h5H,4H2,1-3H3/b7-6-
InChIKey
GHPRZTDZWGKPQX-SREVYHEPSA-N
Compound name
(Z)-N-dimethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.99962 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00690 145.5
[M+Na]+ 263.98884 152.5
[M-H]- 239.99234 149.0
[M+NH4]+ 259.03344 166.3
[M+K]+ 279.96278 151.2
[M+H-H2O]+ 223.99688 137.6
[M+HCOO]- 285.99782 165.5
[M+CH3COO]- 300.01347 191.1
[M+Na-2H]- 261.97429 144.1
[M]+ 240.99907 149.9
[M]- 241.00017 149.9
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.