CID 3050990

S-(2-(2-norbornylamino)ethyl) sodium hydrogen phosphorothioate

Structural Information

Molecular Formula
C9H18NO2PS2
SMILES
C1CC2CC1CC2NCCSP(=S)(O)O
InChI
InChI=1S/C9H18NO2PS2/c11-13(12,14)15-4-3-10-9-6-7-1-2-8(9)5-7/h7-10H,1-6H2,(H2,11,12,14)
InChIKey
ROUABKDHCKRMFK-UHFFFAOYSA-N
Compound name
N-(2-dihydroxyphosphinothioylsulfanylethyl)bicyclo[2.2.1]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.05167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05895 155.1
[M+Na]+ 290.04089 160.2
[M-H]- 266.04439 153.2
[M+NH4]+ 285.08549 176.3
[M+K]+ 306.01483 156.6
[M+H-H2O]+ 250.04893 149.6
[M+HCOO]- 312.04987 168.5
[M+CH3COO]- 326.06552 191.4
[M+Na-2H]- 288.02634 153.1
[M]+ 267.05112 155.3
[M]- 267.05222 155.3
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.