CID 64318

67293-76-9

Structural Information

Molecular Formula
C15H27N2O3PS
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSP(=O)(O)O)N)C
InChI
InChI=1S/C15H27N2O3PS/c1-13-3-11-4-14(2,7-13)9-15(5-11,8-13)10-17-12(16)6-22-21(18,19)20/h11H,3-10H2,1-2H3,(H2,16,17)(H2,18,19,20)
InChIKey
OTWKGYZEGDULJL-UHFFFAOYSA-N
Compound name
[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.148 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15528 179.5
[M+Na]+ 369.13722 179.9
[M-H]- 345.14072 169.7
[M+NH4]+ 364.18182 202.4
[M+K]+ 385.11116 177.6
[M+H-H2O]+ 329.14526 173.0
[M+HCOO]- 391.14620 183.6
[M+CH3COO]- 405.16185 218.1
[M+Na-2H]- 367.12267 189.1
[M]+ 346.14745 182.8
[M]- 346.14855 182.8
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

No patent data available for this compound.