CID 96040

18144-64-4

Structural Information

Molecular Formula
C10H20N3OP
SMILES
C1CCCN(CC1)P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C10H20N3OP/c14-15(12-7-8-12,13-9-10-13)11-5-3-1-2-4-6-11/h1-10H2
InChIKey
ZCBLIQKVTTZLAH-UHFFFAOYSA-N
Compound name
1-[bis(aziridin-1-yl)phosphoryl]azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1344 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14168 140.5
[M+Na]+ 252.12362 149.5
[M+NH4]+ 247.16822 146.8
[M+K]+ 268.09756 149.6
[M-H]- 228.12712 152.2
[M+Na-2H]- 250.10907 149.9
[M]+ 229.13385 146.6
[M]- 229.13495 146.6
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.