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]+ 130.08626 127.3
[M+Na]+ 152.06820 134.2
[M-H]- 128.07170 127.9
[M+NH4]+ 147.11280 148.9
[M+K]+ 168.04214 130.0
[M+H-H2O]+ 112.07624 127.7
[M+HCOO]- 174.07718 151.8
[M+CH3COO]- 188.09283 167.5
[M+Na-2H]- 150.05365 133.8
[M]+ 129.07843 126.3
[M]- 129.07953 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