CID 263680

10364-97-3

Structural Information

Molecular Formula
C11H10N2O6
SMILES
C1CC1COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O6/c14-11(19-6-7-1-2-7)8-3-9(12(15)16)5-10(4-8)13(17)18/h3-5,7H,1-2,6H2
InChIKey
KUHLYUCDGNMGTP-UHFFFAOYSA-N
Compound name
cyclopropylmethyl 3,5-dinitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0539 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06118 164.1
[M+Na]+ 289.04312 171.7
[M+NH4]+ 284.08772 172.2
[M+K]+ 305.01706 178.7
[M-H]- 265.04662 174.8
[M+Na-2H]- 287.02857 170.9
[M]+ 266.05335 165.8
[M]- 266.05445 165.8
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.