CID 107980

Dimatif

Structural Information

Molecular Formula
C4H10N3PS
SMILES
C1CN1P(=S)(N)N2CC2
InChI
InChI=1S/C4H10N3PS/c5-8(9,6-1-2-6)7-3-4-7/h1-4H2,(H2,5,9)
InChIKey
RXZRAOONKFIKQQ-UHFFFAOYSA-N
Compound name
1-[amino(aziridin-1-yl)phosphinothioyl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3222
Patents

163.03331 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.04059 146.3
[M+Na]+ 186.02253 153.8
[M-H]- 162.02603 149.5
[M+NH4]+ 181.06713 153.6
[M+K]+ 201.99647 151.0
[M+H-H2O]+ 146.03057 137.3
[M+HCOO]- 208.03151 165.1
[M+CH3COO]- 222.04716 191.0
[M+Na-2H]- 184.00798 145.6
[M]+ 163.03276 148.6
[M]- 163.03386 148.6
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