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
2
Annotation Hits

0
References

0
Patents

210.13683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 147.6
[M+Na]+ 233.12605 157.5
[M+NH4]+ 228.17065 155.9
[M+K]+ 249.09999 155.5
[M-H]- 209.12955 149.8
[M+Na-2H]- 231.11150 149.6
[M]+ 210.13628 149.2
[M]- 210.13738 149.2
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.