CID 3057171

73972-82-4

Structural Information

Molecular Formula
C5H14NO3PS
SMILES
CC(C)C(CSP(=O)(O)O)N
InChI
InChI=1S/C5H14NO3PS/c1-4(2)5(6)3-11-10(7,8)9/h4-5H,3,6H2,1-2H3,(H2,7,8,9)
InChIKey
SRILNZCCJQZZJQ-UHFFFAOYSA-N
Compound name
(2-amino-3-methylbutyl)sulfanylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0432 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05048 143.5
[M+Na]+ 222.03242 148.5
[M-H]- 198.03592 139.3
[M+NH4]+ 217.07702 161.6
[M+K]+ 238.00636 147.0
[M+H-H2O]+ 182.04046 136.3
[M+HCOO]- 244.04140 162.1
[M+CH3COO]- 258.05705 181.1
[M+Na-2H]- 220.01787 141.0
[M]+ 199.04265 143.8
[M]- 199.04375 143.8
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.