CID 96837

41657-20-9

Structural Information

Molecular Formula
C12H22N3OP
SMILES
CC1CN1P(=O)(N2CC2C)N(CC=C)CC=C
InChI
InChI=1S/C12H22N3OP/c1-5-7-13(8-6-2)17(16,14-9-11(14)3)15-10-12(15)4/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKey
CWZLSGGHNRJZGA-UHFFFAOYSA-N
Compound name
N-bis(2-methylaziridin-1-yl)phosphoryl-N-prop-2-enylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

255.15005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15733 180.6
[M+Na]+ 278.13927 187.6
[M-H]- 254.14277 185.1
[M+NH4]+ 273.18387 185.5
[M+K]+ 294.11321 183.6
[M+H-H2O]+ 238.14731 171.3
[M+HCOO]- 300.14825 202.5
[M+CH3COO]- 314.16390 213.2
[M+Na-2H]- 276.12472 177.9
[M]+ 255.14950 186.7
[M]- 255.15060 186.7
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.