CID 135738685

25033-34-5

Structural Information

Molecular Formula
C10H13N3PS
SMILES
C1CN1C2=CC=C(C=C2)N[P+](=S)N3CC3
InChI
InChI=1S/C10H13N3PS/c15-14(13-7-8-13)11-9-1-3-10(4-2-9)12-5-6-12/h1-4H,5-8H2,(H,11,15)/q+1
InChIKey
BQCANIXRXKEXHZ-UHFFFAOYSA-N
Compound name
aziridin-1-yl-[4-(aziridin-1-yl)anilino]-sulfanylidenephosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.05678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06406 143.7
[M+Na]+ 261.04600 150.4
[M-H]- 237.04950 149.8
[M+NH4]+ 256.09060 148.5
[M+K]+ 277.01994 142.6
[M+H-H2O]+ 221.05404 136.5
[M+HCOO]- 283.05498 164.0
[M+CH3COO]- 297.07063 198.4
[M+Na-2H]- 259.03145 145.5
[M]+ 238.05623 145.1
[M]- 238.05733 145.1
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.