CID 64305

Brn 2859419

Structural Information

Molecular Formula
C12H22NO3PS
SMILES
C1C2CC3CC1CC(C2)(C3)NCCSP(=O)(O)O
InChI
InChI=1S/C12H22NO3PS/c14-17(15,16)18-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2,(H2,14,15,16)
InChIKey
TXJLWOSEXGDUBX-UHFFFAOYSA-N
Compound name
2-(1-adamantylamino)ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1058 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11308 160.5
[M+Na]+ 314.09502 165.3
[M+NH4]+ 309.13962 171.1
[M+K]+ 330.06896 156.7
[M-H]- 290.09852 156.0
[M+Na-2H]- 312.08047 156.2
[M]+ 291.10525 160.2
[M]- 291.10635 160.2
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.