CID 86915

17027-36-0

Structural Information

Molecular Formula
C10H17N2O2PS
SMILES
CC1=C(C=CC(=C1)OP(=O)(N)N(C)C)SC
InChI
InChI=1S/C10H17N2O2PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,13)12(2)3/h5-7H,1-4H3,(H2,11,13)
InChIKey
MVQHFXRPVFQADN-UHFFFAOYSA-N
Compound name
N-[amino-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.07483 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08211 156.0
[M+Na]+ 283.06405 162.9
[M-H]- 259.06755 159.7
[M+NH4]+ 278.10865 174.0
[M+K]+ 299.03799 161.3
[M+H-H2O]+ 243.07209 146.8
[M+HCOO]- 305.07303 181.1
[M+CH3COO]- 319.08868 203.6
[M+Na-2H]- 281.04950 155.5
[M]+ 260.07428 160.4
[M]- 260.07538 160.4
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.