CID 170325

Agent ql

Structural Information

Molecular Formula
C11H26NO2P
SMILES
CCOP(C)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C11H26NO2P/c1-7-13-15(6)14-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3
InChIKey
OIQVKKOBTVZIFE-UHFFFAOYSA-N
Compound name
N-[2-[ethoxy(methyl)phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

46
Patents

235.17012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17740 165.0
[M+Na]+ 258.15934 168.4
[M-H]- 234.16284 164.8
[M+NH4]+ 253.20394 183.8
[M+K]+ 274.13328 170.3
[M+H-H2O]+ 218.16738 156.6
[M+HCOO]- 280.16832 191.3
[M+CH3COO]- 294.18397 204.1
[M+Na-2H]- 256.14479 161.1
[M]+ 235.16957 171.4
[M]- 235.17067 171.4
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