CID 3034404

56593-86-3

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CCN\1CC2CCCCC2/C1=C/[N+](=O)[O-]
InChI
InChI=1S/C11H18N2O2/c1-2-12-7-9-5-3-4-6-10(9)11(12)8-13(14)15/h8-10H,2-7H2,1H3/b11-8-
InChIKey
NGFPWRMWKFFWRD-FLIBITNWSA-N
Compound name
(3Z)-2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

210.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 149.7
[M+Na]+ 233.126048 154.3
[M-H]- 209.129554 151.8
[M+NH4]+ 228.170653 169.1
[M+K]+ 249.099988 147.7
[M+H-H2O]+ 193.134090 147.9
[M+HCOO]- 255.135031 168.4
[M+CH3COO]- 269.150681 180.9
[M+Na-2H]- 231.111496 153.3
[M]+ 210.13628142 143.3
[M]- 210.13737858 143.3
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.