CID 6433471

3-nitro-2-hexene

Structural Information

Molecular Formula
C6H11NO2
SMILES
CCC/C(=C/C)/[N+](=O)[O-]
InChI
InChI=1S/C6H11NO2/c1-3-5-6(4-2)7(8)9/h4H,3,5H2,1-2H3/b6-4-
InChIKey
CEHMJHORJSNKTM-XQRVVYSFSA-N
Compound name
(Z)-3-nitrohex-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.3
[M+Na]+ 152.068198 134.2
[M-H]- 128.071704 127.9
[M+NH4]+ 147.112803 148.9
[M+K]+ 168.042138 130.0
[M+H-H2O]+ 112.076240 127.7
[M+HCOO]- 174.077181 151.8
[M+CH3COO]- 188.092831 167.5
[M+Na-2H]- 150.053646 133.8
[M]+ 129.07843142 126.3
[M]- 129.07952858 126.3
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

patents stripe