CID 246717

Phs 154

Structural Information

Molecular Formula
C12H22N3OP
SMILES
C1CC2CCC1CN(C2)P(=O)(N3CC3)N4CC4
InChI
InChI=1S/C12H22N3OP/c16-17(13-5-6-13,14-7-8-14)15-9-11-1-2-12(10-15)4-3-11/h11-12H,1-10H2
InChIKey
OUASLQVYQKMHPY-UHFFFAOYSA-N
Compound name
3-[bis(aziridin-1-yl)phosphoryl]-3-azabicyclo[3.2.2]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.15005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15733 169.3
[M+Na]+ 278.13927 175.2
[M-H]- 254.14277 170.3
[M+NH4]+ 273.18387 175.6
[M+K]+ 294.11321 171.7
[M+H-H2O]+ 238.14731 162.9
[M+HCOO]- 300.14825 177.5
[M+CH3COO]- 314.16390 174.3
[M+Na-2H]- 276.12472 172.4
[M]+ 255.14950 169.5
[M]- 255.15060 169.5
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.