CID 494165

Nsc192980

Structural Information

Molecular Formula
C13H16N2P
SMILES
C[P+]1(CCC(=C(C1)C#N)N)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2P/c1-16(12-5-3-2-4-6-12)8-7-13(15)11(9-14)10-16/h2-6H,7-8,10,15H2,1H3/q+1
InChIKey
MQTJZWWSSFJIJS-UHFFFAOYSA-N
Compound name
4-amino-1-methyl-1-phenyl-3,6-dihydro-2H-phosphinin-1-ium-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10512 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11240 153.5
[M+Na]+ 254.09434 162.7
[M-H]- 230.09784 157.9
[M+NH4]+ 249.13894 171.2
[M+K]+ 270.06828 151.8
[M+H-H2O]+ 214.10238 141.4
[M+HCOO]- 276.10332 176.6
[M+CH3COO]- 290.11897 198.7
[M+Na-2H]- 252.07979 157.2
[M]+ 231.10457 144.3
[M]- 231.10567 144.3
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.