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 166.5
[M+Na]+ 252.12362 169.3
[M-H]- 228.12712 170.5
[M+NH4]+ 247.16822 169.2
[M+K]+ 268.09756 171.0
[M+H-H2O]+ 212.13166 155.4
[M+HCOO]- 274.13260 183.3
[M+CH3COO]- 288.14825 201.8
[M+Na-2H]- 250.10907 165.4
[M]+ 229.13385 163.4
[M]- 229.13495 163.4
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.