CID 155970977

[5-(dimethylphosphoryl)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C8H13N2OP
SMILES
CP(=O)(C)C1=CN=CC(=C1)CN
InChI
InChI=1S/C8H13N2OP/c1-12(2,11)8-3-7(4-9)5-10-6-8/h3,5-6H,4,9H2,1-2H3
InChIKey
SJGBPGAUKWOUMQ-UHFFFAOYSA-N
Compound name
(5-dimethylphosphoryl-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07655 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.083826 142.1
[M+Na]+ 207.065768 150.1
[M-H]- 183.069274 143.1
[M+NH4]+ 202.110373 160.9
[M+K]+ 223.039708 148.1
[M+H-H2O]+ 167.073810 133.6
[M+HCOO]- 229.074751 169.9
[M+CH3COO]- 243.090401 184.7
[M+Na-2H]- 205.051216 145.9
[M]+ 184.07600142 142.3
[M]- 184.07709858 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

No patent data available for this compound.