CID 389145

Nsc684829

Structural Information

Molecular Formula
C13H24O3P
SMILES
C1C2CC3CC1CC(C2)(C3)[P+](CO)(CO)CO
InChI
InChI=1S/C13H24O3P/c14-7-17(8-15,9-16)13-4-10-1-11(5-13)3-12(2-10)6-13/h10-12,14-16H,1-9H2/q+1
InChIKey
OCZIZUGXOJUBMO-UHFFFAOYSA-N
Compound name
1-adamantyl-tris(hydroxymethyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.1463 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.153576 168.1
[M+Na]+ 282.135518 168.3
[M-H]- 258.139024 158.5
[M+NH4]+ 277.180123 190.0
[M+K]+ 298.109458 159.8
[M+H-H2O]+ 242.143560 164.2
[M+HCOO]- 304.144501 174.2
[M+CH3COO]- 318.160151 190.3
[M+Na-2H]- 280.120966 178.0
[M]+ 259.14575142 166.8
[M]- 259.14684858 166.8
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

patents stripe