CID 367801

Nsc637820

Structural Information

Molecular Formula
C6H12ClN4O2P
SMILES
CN1C(=O)N(P12(N(C(=O)N2C)C)Cl)C
InChI
InChI=1S/C6H12ClN4O2P/c1-8-5(12)9(2)14(8,7)10(3)6(13)11(14)4/h1-4H3
InChIKey
IBTDLMFATJWOHG-UHFFFAOYSA-N
Compound name
4-chloro-1,3,5,7-tetramethyl-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.03864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04592 138.9
[M+Na]+ 261.02786 147.9
[M-H]- 237.03136 138.6
[M+NH4]+ 256.07246 141.6
[M+K]+ 277.00180 150.9
[M+H-H2O]+ 221.03590 122.1
[M+HCOO]- 283.03684 153.6
[M+CH3COO]- 297.05249 204.4
[M+Na-2H]- 259.01331 138.2
[M]+ 238.03809 158.2
[M]- 238.03919 158.2
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.