CID 6445360

Trans-4-methyl-1-nitro-1-pentene

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C)C/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H11NO2/c1-6(2)4-3-5-7(8)9/h3,5-6H,4H2,1-2H3/b5-3+
InChIKey
CZWSUVQCPWIYID-HWKANZROSA-N
Compound name
(E)-4-methyl-1-nitropent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
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 126.3
[M+Na]+ 152.06820 137.3
[M+NH4]+ 147.11280 134.2
[M+K]+ 168.04214 134.5
[M-H]- 128.07170 127.0
[M+Na-2H]- 150.05365 129.8
[M]+ 129.07843 127.8
[M]- 129.07953 127.8
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

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