CID 205862

3-phospholene, 1-ethoxy-3-methyl-, 1-oxide

Structural Information

Molecular Formula
C7H13O2P
SMILES
CCOP1(=O)CC=CC1C
InChI
InChI=1S/C7H13O2P/c1-3-9-10(8)6-4-5-7(10)2/h4-5,7H,3,6H2,1-2H3
InChIKey
SMKDZNSCNRDTKG-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06532 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07260 131.9
[M+Na]+ 183.05454 140.6
[M-H]- 159.05804 134.8
[M+NH4]+ 178.09914 157.3
[M+K]+ 199.02848 140.0
[M+H-H2O]+ 143.06258 125.7
[M+HCOO]- 205.06352 162.1
[M+CH3COO]- 219.07917 176.6
[M+Na-2H]- 181.03999 134.9
[M]+ 160.06477 134.7
[M]- 160.06587 134.7
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

patents stripe