CID 66134

Aziridine, 1,1'-(phenylphosphinylidene)bis[2-methyl-

Structural Information

Molecular Formula
C12H17N2OP
SMILES
CC1CN1P(=O)(C2=CC=CC=C2)N3CC3C
InChI
InChI=1S/C12H17N2OP/c1-10-8-13(10)16(15,14-9-11(14)2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKey
YOYMEKJZSAQGNB-UHFFFAOYSA-N
Compound name
2-methyl-1-[(2-methylaziridin-1-yl)-phenylphosphoryl]aziridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

236.10785 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11513 172.6
[M+Na]+ 259.09707 180.7
[M-H]- 235.10057 178.6
[M+NH4]+ 254.14167 177.6
[M+K]+ 275.07101 177.5
[M+H-H2O]+ 219.10511 163.0
[M+HCOO]- 281.10605 194.5
[M+CH3COO]- 295.12170 204.1
[M+Na-2H]- 257.08252 172.1
[M]+ 236.10730 176.8
[M]- 236.10840 176.8
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