CID 96907

Phosphine sulfide, bis(1-aziridinyl)diallylamino-

Structural Information

Molecular Formula
C10H18N3PS
SMILES
C=CCN(CC=C)P(=S)(N1CC1)N2CC2
InChI
InChI=1S/C10H18N3PS/c1-3-5-11(6-4-2)14(15,12-7-8-12)13-9-10-13/h3-4H,1-2,5-10H2
InChIKey
ONTIXLLIZWKSQB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphinothioyl]-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

243.0959 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10318 167.7
[M+Na]+ 266.08512 173.6
[M-H]- 242.08862 171.8
[M+NH4]+ 261.12972 173.0
[M+K]+ 282.05906 170.0
[M+H-H2O]+ 226.09316 157.7
[M+HCOO]- 288.09410 186.2
[M+CH3COO]- 302.10975 207.7
[M+Na-2H]- 264.07057 164.8
[M]+ 243.09535 172.6
[M]- 243.09645 172.6
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.