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-dimethylphosphorylpyridin-3-yl)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]+ 185.08383 142.1
[M+Na]+ 207.06577 150.1
[M-H]- 183.06927 143.1
[M+NH4]+ 202.11037 160.9
[M+K]+ 223.03971 148.1
[M+H-H2O]+ 167.07381 133.6
[M+HCOO]- 229.07475 169.9
[M+CH3COO]- 243.09040 184.7
[M+Na-2H]- 205.05122 145.9
[M]+ 184.07600 142.3
[M]- 184.07710 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.