CID 3513851

98015-45-3

Structural Information

Molecular Formula
C13H31N4P
SMILES
CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
InChI
InChI=1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
InChIKey
VSCBATMPTLKTOV-UHFFFAOYSA-N
Compound name
2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4063
Patents

274.22864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.23592 169.7
[M+Na]+ 297.21786 174.2
[M-H]- 273.22136 171.4
[M+NH4]+ 292.26246 187.2
[M+K]+ 313.19180 174.3
[M+H-H2O]+ 257.22590 160.1
[M+HCOO]- 319.22684 193.8
[M+CH3COO]- 333.24249 212.8
[M+Na-2H]- 295.20331 170.3
[M]+ 274.22809 170.6
[M]- 274.22919 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe