CID 120336

695-67-0

Structural Information

Molecular Formula
C6H11O2P
SMILES
CC1=C(CP(=O)(C1)O)C
InChI
InChI=1S/C6H11O2P/c1-5-3-9(7,8)4-6(5)2/h3-4H2,1-2H3,(H,7,8)
InChIKey
FJIOJXWMRVVRGG-UHFFFAOYSA-N
Compound name
1-hydroxy-3,4-dimethyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04967 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.056946 127.1
[M+Na]+ 169.038888 136.7
[M-H]- 145.042394 129.1
[M+NH4]+ 164.083493 152.7
[M+K]+ 185.012828 135.5
[M+H-H2O]+ 129.046930 121.7
[M+HCOO]- 191.047871 156.2
[M+CH3COO]- 205.063521 172.0
[M+Na-2H]- 167.024336 129.6
[M]+ 146.04912142 128.1
[M]- 146.05021858 128.1
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

No patent data available for this compound.