CID 137945031

2287301-67-9

Structural Information

Molecular Formula
C9H14NOP
SMILES
CP(=O)(C)C1=CC=CC(=C1)CN
InChI
InChI=1S/C9H14NOP/c1-12(2,11)9-5-3-4-8(6-9)7-10/h3-6H,7,10H2,1-2H3
InChIKey
PMYJSBQIJBKPGR-UHFFFAOYSA-N
Compound name
(3-dimethylphosphorylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.0813 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08858 142.1
[M+Na]+ 206.07052 149.8
[M-H]- 182.07402 144.4
[M+NH4]+ 201.11512 162.4
[M+K]+ 222.04446 147.6
[M+H-H2O]+ 166.07856 134.5
[M+HCOO]- 228.07950 171.0
[M+CH3COO]- 242.09515 185.1
[M+Na-2H]- 204.05597 145.4
[M]+ 183.08075 142.3
[M]- 183.08185 142.3
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

patents stripe