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]+ 184.088576 142.1
[M+Na]+ 206.070518 149.8
[M-H]- 182.074024 144.4
[M+NH4]+ 201.115123 162.4
[M+K]+ 222.044458 147.6
[M+H-H2O]+ 166.078560 134.5
[M+HCOO]- 228.079501 171.0
[M+CH3COO]- 242.095151 185.1
[M+Na-2H]- 204.055966 145.4
[M]+ 183.08075142 142.3
[M]- 183.08184858 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