CID 6433462

3-nitro-2-nonene

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCCCCC/C(=C/C)/[N+](=O)[O-]
InChI
InChI=1S/C9H17NO2/c1-3-5-6-7-8-9(4-2)10(11)12/h4H,3,5-8H2,1-2H3/b9-4-
InChIKey
CSXIWVFKBYEYCP-WTKPLQERSA-N
Compound name
(Z)-3-nitronon-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 142.0
[M+Na]+ 194.115148 147.5
[M-H]- 170.118654 141.9
[M+NH4]+ 189.159753 161.9
[M+K]+ 210.089088 142.6
[M+H-H2O]+ 154.123190 141.7
[M+HCOO]- 216.124131 165.4
[M+CH3COO]- 230.139781 176.7
[M+Na-2H]- 192.100596 146.8
[M]+ 171.12538142 142.0
[M]- 171.12647858 142.0
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

patents stripe