CID 303551

Nsc191990

Structural Information

Molecular Formula
C7H11O3P
SMILES
CC1=CC(P(=O)(C1)C)C(=O)O
InChI
InChI=1S/C7H11O3P/c1-5-3-6(7(8)9)11(2,10)4-5/h3,6H,4H2,1-2H3,(H,8,9)
InChIKey
DDCVZRBDTPGGFF-UHFFFAOYSA-N
Compound name
1,4-dimethyl-1-oxo-2,5-dihydro-1lambda5-phosphole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.04459 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05187 133.2
[M+Na]+ 197.03381 142.2
[M-H]- 173.03731 135.1
[M+NH4]+ 192.07841 157.4
[M+K]+ 213.00775 141.2
[M+H-H2O]+ 157.04185 127.6
[M+HCOO]- 219.04279 161.3
[M+CH3COO]- 233.05844 177.0
[M+Na-2H]- 195.01926 134.1
[M]+ 174.04404 134.6
[M]- 174.04514 134.6
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.