CID 534565

6-nitro-1-hexene

Structural Information

Molecular Formula
C6H11NO2
SMILES
C=CCCCC[N+](=O)[O-]
InChI
InChI=1S/C6H11NO2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2
InChIKey
BIYYQEVGNGBZAK-UHFFFAOYSA-N
Compound name
6-nitrohex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

129.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.4
[M+Na]+ 152.06820 134.3
[M-H]- 128.07170 127.8
[M+NH4]+ 147.11280 148.9
[M+K]+ 168.04214 129.8
[M+H-H2O]+ 112.07624 127.6
[M+HCOO]- 174.07718 152.8
[M+CH3COO]- 188.09283 167.5
[M+Na-2H]- 150.05365 135.1
[M]+ 129.07843 127.1
[M]- 129.07953 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe