CID 9562501

Nsc134295

Structural Information

Molecular Formula
C14H18N4O5
SMILES
CC\1(CCCC/C1=N\NC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])CO
InChI
InChI=1S/C14H18N4O5/c1-14(9-19)5-3-2-4-13(14)16-15-10-6-11(17(20)21)8-12(7-10)18(22)23/h6-8,15,19H,2-5,9H2,1H3/b16-13+
InChIKey
GROXAVUAHXHGRO-DTQAZKPQSA-N
Compound name
[(2E)-2-[(3,5-dinitrophenyl)hydrazinylidene]-1-methylcyclohexyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.12772 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13500 168.8
[M+Na]+ 345.11694 170.8
[M-H]- 321.12044 174.3
[M+NH4]+ 340.16154 181.5
[M+K]+ 361.09088 160.6
[M+H-H2O]+ 305.12498 170.0
[M+HCOO]- 367.12592 192.2
[M+CH3COO]- 381.14157 199.5
[M+Na-2H]- 343.10239 176.9
[M]+ 322.12717 161.8
[M]- 322.12827 161.8
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.