CID 142753

Phosphine oxide, bis(1-aziridinyl)butyl-

Structural Information

Molecular Formula
C8H17N2OP
SMILES
CCCCP(=O)(N1CC1)N2CC2
InChI
InChI=1S/C8H17N2OP/c1-2-3-8-12(11,9-4-5-9)10-6-7-10/h2-8H2,1H3
InChIKey
AJIVBYLCKKGTLW-UHFFFAOYSA-N
Compound name
1-[aziridin-1-yl(butyl)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

188.10785 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11513 166.6
[M+Na]+ 211.09707 173.7
[M-H]- 187.10057 169.8
[M+NH4]+ 206.14167 173.1
[M+K]+ 227.07101 171.3
[M+H-H2O]+ 171.10511 157.2
[M+HCOO]- 233.10605 188.1
[M+CH3COO]- 247.12170 196.1
[M+Na-2H]- 209.08252 166.8
[M]+ 188.10730 171.3
[M]- 188.10840 171.3
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

patents stripe