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]+ 147.05695 127.1
[M+Na]+ 169.03889 136.7
[M-H]- 145.04239 129.1
[M+NH4]+ 164.08349 152.7
[M+K]+ 185.01283 135.5
[M+H-H2O]+ 129.04693 121.7
[M+HCOO]- 191.04787 156.2
[M+CH3COO]- 205.06352 172.0
[M+Na-2H]- 167.02434 129.6
[M]+ 146.04912 128.1
[M]- 146.05022 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.