CID 200904

3-phospholene, 3-methyl-1-(pentyloxy)-, 1-oxide

Structural Information

Molecular Formula
C10H19O2P
SMILES
CCCCCOP1(=O)CC=C(C1)C
InChI
InChI=1S/C10H19O2P/c1-3-4-5-7-12-13(11)8-6-10(2)9-13/h6H,3-5,7-9H2,1-2H3
InChIKey
FARNLTSMHCWTRK-UHFFFAOYSA-N
Compound name
3-methyl-1-pentoxy-2,5-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11227 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11955 146.3
[M+Na]+ 225.10149 153.6
[M-H]- 201.10499 148.5
[M+NH4]+ 220.14609 170.0
[M+K]+ 241.07543 152.3
[M+H-H2O]+ 185.10953 139.4
[M+HCOO]- 247.11047 175.5
[M+CH3COO]- 261.12612 185.7
[M+Na-2H]- 223.08694 147.6
[M]+ 202.11172 150.2
[M]- 202.11282 150.2
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

No patent data available for this compound.