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]+ 261.159746 158.5
[M+Na]+ 283.141688 165.2
[M-H]- 259.145194 160.7
[M+NH4]+ 278.186293 178.1
[M+K]+ 299.115628 157.6
[M+H-H2O]+ 243.149730 156.1
[M+HCOO]- 305.150671 174.2
[M+CH3COO]- 319.166321 195.5
[M+Na-2H]- 281.127136 166.3
[M]+ 260.15192142 155.4
[M]- 260.15301858 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.