CID 41192

Ab 180

Structural Information

Molecular Formula
C7H14N3O4P
SMILES
CCOC(=O)NOP(=O)(N1CC1)N2CC2
InChI
InChI=1S/C7H14N3O4P/c1-2-13-7(11)8-14-15(12,9-3-4-9)10-5-6-10/h2-6H2,1H3,(H,8,11)
InChIKey
BKLLQNOIUMRVRI-UHFFFAOYSA-N
Compound name
ethyl N-[bis(aziridin-1-yl)phosphoryloxy]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.07219 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07947 172.1
[M+Na]+ 258.06141 178.8
[M-H]- 234.06491 175.6
[M+NH4]+ 253.10601 176.6
[M+K]+ 274.03535 176.3
[M+H-H2O]+ 218.06945 163.3
[M+HCOO]- 280.07039 194.5
[M+CH3COO]- 294.08604 201.5
[M+Na-2H]- 256.04686 172.6
[M]+ 235.07164 178.6
[M]- 235.07274 178.6
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.