CID 366957

Nsc636119

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1(CC(=NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C1)C
InChI
InChI=1S/C14H16N2O3/c1-14(2)8-11(7-13(17)9-14)15-10-3-5-12(6-4-10)16(18)19/h3-6H,7-9H2,1-2H3
InChIKey
RIYFRZMLRBXDLT-UHFFFAOYSA-N
Compound name
3,3-dimethyl-5-(4-nitrophenyl)iminocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 157.0
[M+Na]+ 283.10532 162.9
[M-H]- 259.10882 164.8
[M+NH4]+ 278.14992 175.1
[M+K]+ 299.07926 156.5
[M+H-H2O]+ 243.11336 154.6
[M+HCOO]- 305.11430 181.2
[M+CH3COO]- 319.12995 194.4
[M+Na-2H]- 281.09077 163.2
[M]+ 260.11555 153.3
[M]- 260.11665 153.3
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.