CID 64483

69804-02-0

Structural Information

Molecular Formula
C13H23N2O3PS
SMILES
C1C2CC3CC1CC(C2)(C3)CN=C(CSP(=O)(O)O)N
InChI
InChI=1S/C13H23N2O3PS/c14-12(7-20-19(16,17)18)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H2,14,15)(H2,16,17,18)
InChIKey
DDSASQCVFLLBFM-UHFFFAOYSA-N
Compound name
[2-(1-adamantylmethylimino)-2-aminoethyl]sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1167 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.123976 169.4
[M+Na]+ 341.105918 168.3
[M-H]- 317.109424 159.8
[M+NH4]+ 336.150523 189.7
[M+K]+ 357.079858 166.6
[M+H-H2O]+ 301.113960 163.1
[M+HCOO]- 363.114901 174.6
[M+CH3COO]- 377.130551 213.1
[M+Na-2H]- 339.091366 177.3
[M]+ 318.11615142 171.1
[M]- 318.11724858 171.1
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.