CID 67052743

1197953-47-1

Structural Information

Molecular Formula
C8H12NOP
SMILES
CP(=O)(C)C1=CC=CC=C1N
InChI
InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
InChIKey
DHHGHQKIKXKQGJ-UHFFFAOYSA-N
Compound name
2-dimethylphosphorylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

169.06566 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe