CID 3054408

Brn 1076850

Structural Information

Molecular Formula
C11H25N2O2PS
SMILES
CCN(CC)CCSP(=O)(C)N1CCOCC1
InChI
InChI=1S/C11H25N2O2PS/c1-4-12(5-2)8-11-17-16(3,14)13-6-9-15-10-7-13/h4-11H2,1-3H3
InChIKey
RTFJCTGMOHVMBN-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[methyl(morpholin-4-yl)phosphoryl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13745 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14473 166.3
[M+Na]+ 303.12667 169.1
[M-H]- 279.13017 167.9
[M+NH4]+ 298.17127 180.8
[M+K]+ 319.10061 169.3
[M+H-H2O]+ 263.13471 156.3
[M+HCOO]- 325.13565 184.7
[M+CH3COO]- 339.15130 203.7
[M+Na-2H]- 301.11212 165.2
[M]+ 280.13690 169.1
[M]- 280.13800 169.1
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.