CID 2724314

21913-97-3

Structural Information

Molecular Formula
C15H19N2O5
SMILES
CC1(CC(C(N1[O])(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H19N2O5/c1-14(2)9-12(15(3,4)17(14)21)13(18)22-11-7-5-10(6-8-11)16(19)20/h5-8,12H,9H2,1-4H3
InChIKey
LJQNUWWVYJMKTA-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13668 165.5
[M+Na]+ 330.11862 173.2
[M-H]- 306.12212 171.7
[M+NH4]+ 325.16322 184.2
[M+K]+ 346.09256 168.2
[M+H-H2O]+ 290.12666 164.6
[M+HCOO]- 352.12760 187.0
[M+CH3COO]- 366.14325 198.7
[M+Na-2H]- 328.10407 170.1
[M]+ 307.12885 167.3
[M]- 307.12995 167.3
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.