CID 9602598

1-p-menthen-3-one

Structural Information

Molecular Formula
C16H20N4O4
SMILES
CC1=C/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C(CC1)C(C)C
InChI
InChI=1S/C16H20N4O4/c1-10(2)13-6-4-11(3)8-15(13)18-17-14-7-5-12(19(21)22)9-16(14)20(23)24/h5,7-10,13,17H,4,6H2,1-3H3/b18-15+
InChIKey
DIJWSVXPJDGEIA-OBGWFSINSA-N
Compound name
N-[(Z)-(3-methyl-6-propan-2-ylcyclohex-2-en-1-ylidene)amino]-2,4-dinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14847 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15575 183.5
[M+Na]+ 355.13769 189.1
[M+NH4]+ 350.18229 191.6
[M+K]+ 371.11163 197.1
[M-H]- 331.14119 186.3
[M+Na-2H]- 353.12314 184.4
[M]+ 332.14792 185.0
[M]- 332.14902 185.0
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.