CID 143061

1,3,5-triaza-7-phosphaadamantane

Structural Information

Molecular Formula
C6H12N3P
SMILES
C1N2CN3CN1CP(C2)C3
InChI
InChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
InChIKey
FXXRPTKTLVHPAR-UHFFFAOYSA-N
Compound name
1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

85
References

503
Patents

157.07689 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08417 134.0
[M+Na]+ 180.06611 136.9
[M-H]- 156.06961 124.5
[M+NH4]+ 175.11071 156.2
[M+K]+ 196.04005 135.7
[M+H-H2O]+ 140.07415 124.0
[M+HCOO]- 202.07509 144.6
[M+CH3COO]- 216.09074 142.7
[M+Na-2H]- 178.05156 142.9
[M]+ 157.07634 133.6
[M]- 157.07744 133.6
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