CID 414148

Nsc55719

Structural Information

Molecular Formula
C9H16N3O2P
SMILES
CC1CN1P(=O)(N2CC2C)OCCC#N
InChI
InChI=1S/C9H16N3O2P/c1-8-6-11(8)15(13,12-7-9(12)2)14-5-3-4-10/h8-9H,3,5-7H2,1-2H3
InChIKey
ZVEJWJJNVYVXEN-UHFFFAOYSA-N
Compound name
3-bis(2-methylaziridin-1-yl)phosphoryloxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.098 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10528 157.5
[M+Na]+ 252.08722 173.8
[M-H]- 228.09072 163.6
[M+NH4]+ 247.13182 165.3
[M+K]+ 268.06116 166.6
[M+H-H2O]+ 212.09526 148.0
[M+HCOO]- 274.09620 178.6
[M+CH3COO]- 288.11185 212.3
[M+Na-2H]- 250.07267 160.4
[M]+ 229.09745 162.7
[M]- 229.09855 162.7
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.