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 164.8
[M+Na]+ 314.09502 164.7
[M-H]- 290.09852 154.9
[M+NH4]+ 309.13962 186.2
[M+K]+ 330.06896 162.4
[M+H-H2O]+ 274.10306 158.6
[M+HCOO]- 336.10400 169.6
[M+CH3COO]- 350.11965 204.1
[M+Na-2H]- 312.08047 173.6
[M]+ 291.10525 167.4
[M]- 291.10635 167.4
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.