CID 143062

1,3,5-triaza-7-phosphaadamantane 7-oxide

Structural Information

Molecular Formula
C6H12N3OP
SMILES
C1N2CN3CN1CP(=O)(C2)C3
InChI
InChI=1S/C6H12N3OP/c10-11-4-7-1-8(5-11)3-9(2-7)6-11/h1-6H2
InChIKey
BPHLLGJNQPYNDP-UHFFFAOYSA-N
Compound name
1,3,5-triaza-7lambda5-phosphatricyclo[3.3.1.13,7]decane 7-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

173.0718 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.079076 136.6
[M+Na]+ 196.061018 140.9
[M-H]- 172.064524 127.4
[M+NH4]+ 191.105623 160.1
[M+K]+ 212.034958 139.5
[M+H-H2O]+ 156.069060 126.2
[M+HCOO]- 218.070001 147.5
[M+CH3COO]- 232.085651 145.6
[M+Na-2H]- 194.046466 146.6
[M]+ 173.07125142 137.3
[M]- 173.07234858 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe