CID 11016

Triethylenephosphoramide

Structural Information

Molecular Formula
C6H12N3OP
SMILES
C1CN1P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKey
FYAMXEPQQLNQDM-UHFFFAOYSA-N
Compound name
1-[bis(aziridin-1-yl)phosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

151
References

36943
Patents

173.0718 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07908 186.0
[M+Na]+ 196.06102 189.9
[M-H]- 172.06452 189.2
[M+NH4]+ 191.10562 185.5
[M+K]+ 212.03496 188.9
[M+H-H2O]+ 156.06906 177.6
[M+HCOO]- 218.07000 201.4
[M+CH3COO]- 232.08565 205.8
[M+Na-2H]- 194.04647 182.4
[M]+ 173.07125 188.3
[M]- 173.07235 188.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe