CID 20634553

737751-54-1

Structural Information

Molecular Formula
C8H12NOP
SMILES
CP(=O)(C)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H12NOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey
OHARHHSJWGEMMN-UHFFFAOYSA-N
Compound name
4-dimethylphosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

169.06566 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07294 137.3
[M+Na]+ 192.05488 145.4
[M-H]- 168.05838 139.8
[M+NH4]+ 187.09948 158.1
[M+K]+ 208.02882 143.5
[M+H-H2O]+ 152.06292 129.9
[M+HCOO]- 214.06386 166.5
[M+CH3COO]- 228.07951 182.0
[M+Na-2H]- 190.04033 141.1
[M]+ 169.06511 137.1
[M]- 169.06621 137.1
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

patents stripe