CID 382237

Nsc669691

Structural Information

Molecular Formula
C8H12NO2P
SMILES
CP(=O)(C(C1=CC=CC=C1)N)O
InChI
InChI=1S/C8H12NO2P/c1-12(10,11)8(9)7-5-3-2-4-6-7/h2-6,8H,9H2,1H3,(H,10,11)
InChIKey
CCRZRZMDDQTEAH-UHFFFAOYSA-N
Compound name
[amino(phenyl)methyl]-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

185.06056 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06784 141.8
[M+Na]+ 208.04978 148.1
[M-H]- 184.05328 142.5
[M+NH4]+ 203.09438 160.7
[M+K]+ 224.02372 146.3
[M+H-H2O]+ 168.05782 134.2
[M+HCOO]- 230.05876 168.6
[M+CH3COO]- 244.07441 181.2
[M+Na-2H]- 206.03523 144.6
[M]+ 185.06001 140.0
[M]- 185.06111 140.0
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