CID 97258

1-methoxy-3-methyl-3-phospholene 1-oxide

Structural Information

Molecular Formula
C6H11O2P
SMILES
CC1=CCP(=O)(C1)OC
InChI
InChI=1S/C6H11O2P/c1-6-3-4-9(7,5-6)8-2/h3H,4-5H2,1-2H3
InChIKey
VYUKRXZGAMVEES-UHFFFAOYSA-N
Compound name
1-methoxy-3-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

146.04967 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05695 127.1
[M+Na]+ 169.03889 136.2
[M-H]- 145.04239 130.1
[M+NH4]+ 164.08349 153.1
[M+K]+ 185.01283 135.9
[M+H-H2O]+ 129.04693 121.1
[M+HCOO]- 191.04787 157.7
[M+CH3COO]- 205.06352 173.6
[M+Na-2H]- 167.02434 130.6
[M]+ 146.04912 129.6
[M]- 146.05022 129.6
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