CID 3063933

101834-41-7

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H20N2O2/c1-10-14-8-11-4-5-12(17(18)19)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14H,6-8H2,1-3H3
InChIKey
AMBSTACSJOJSJH-UHFFFAOYSA-N
Compound name
1,10,13-trimethyl-4-nitro-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 158.5
[M+Na]+ 283.14169 165.2
[M-H]- 259.14519 160.7
[M+NH4]+ 278.18629 178.1
[M+K]+ 299.11563 157.6
[M+H-H2O]+ 243.14973 156.1
[M+HCOO]- 305.15067 174.2
[M+CH3COO]- 319.16632 195.5
[M+Na-2H]- 281.12714 166.3
[M]+ 260.15192 155.4
[M]- 260.15302 155.4
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.