CID 3080357

127914-18-5

Structural Information

Molecular Formula
C9H21N2O4PS
SMILES
CC(C)(C)NC(=O)CCNCCSP(=O)(O)O
InChI
InChI=1S/C9H21N2O4PS/c1-9(2,3)11-8(12)4-5-10-6-7-17-16(13,14)15/h10H,4-7H2,1-3H3,(H,11,12)(H2,13,14,15)
InChIKey
CYQRNPBQRYVWBA-UHFFFAOYSA-N
Compound name
2-[[3-(tert-butylamino)-3-oxopropyl]amino]ethylsulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09598 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10326 166.0
[M+Na]+ 307.08520 169.0
[M-H]- 283.08870 161.6
[M+NH4]+ 302.12980 180.6
[M+K]+ 323.05914 166.9
[M+H-H2O]+ 267.09324 157.9
[M+HCOO]- 329.09418 184.9
[M+CH3COO]- 343.10983 198.4
[M+Na-2H]- 305.07065 166.0
[M]+ 284.09543 168.4
[M]- 284.09653 168.4
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.