CID 4628690

(3-formyl-but-3-enyl)-phosphonic acid

Structural Information

Molecular Formula
C5H9O4P
SMILES
C=C(CCP(=O)(O)O)C=O
InChI
InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)
InChIKey
UBLMBCUBDKMVMQ-UHFFFAOYSA-N
Compound name
3-formylbut-3-enylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

164.02385 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03113 134.7
[M+Na]+ 187.01307 142.0
[M-H]- 163.01657 131.4
[M+NH4]+ 182.05767 154.5
[M+K]+ 202.98701 140.8
[M+H-H2O]+ 147.02111 128.8
[M+HCOO]- 209.02205 159.9
[M+CH3COO]- 223.03770 172.1
[M+Na-2H]- 184.99852 137.3
[M]+ 164.02330 136.0
[M]- 164.02440 136.0
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