CID 101962

Marcophan

Structural Information

Molecular Formula
C8H16N3OPS
SMILES
CC1N(CCS1)P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C8H16N3OPS/c1-8-11(6-7-14-8)13(12,9-2-3-9)10-4-5-10/h8H,2-7H2,1H3
InChIKey
FJYYWRQKUXJNMW-UHFFFAOYSA-N
Compound name
3-[bis(aziridin-1-yl)phosphoryl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

233.07516 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.082436 166.0
[M+Na]+ 256.064378 172.9
[M-H]- 232.067884 170.3
[M+NH4]+ 251.108983 171.5
[M+K]+ 272.038318 170.2
[M+H-H2O]+ 216.072420 156.7
[M+HCOO]- 278.073361 181.8
[M+CH3COO]- 292.089011 199.4
[M+Na-2H]- 254.049826 161.6
[M]+ 233.07461142 168.8
[M]- 233.07570858 168.8
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