CID 70256

930-38-1

Structural Information

Molecular Formula
C5H9OP
SMILES
CP1(=O)CC=CC1
InChI
InChI=1S/C5H9OP/c1-7(6)4-2-3-5-7/h2-3H,4-5H2,1H3
InChIKey
MQLQAXIVFGHSDE-UHFFFAOYSA-N
Compound name
1-methyl-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

307
Patents

116.0391 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.046376 120.9
[M+Na]+ 139.028318 129.5
[M-H]- 115.031824 123.8
[M+NH4]+ 134.072923 147.8
[M+K]+ 155.002258 129.0
[M+H-H2O]+ 99.036360 114.9
[M+HCOO]- 161.037301 151.6
[M+CH3COO]- 175.052951 167.5
[M+Na-2H]- 137.013766 125.3
[M]+ 116.03855142 121.2
[M]- 116.03964858 121.2
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