CID 21151089

Benzoic acid, 4-methoxy-, 3-hexenyl ester, (z)-

Structural Information

Molecular Formula
C6H14N2O
SMILES
CCC(C)CNCN=O
InChI
InChI=1S/C6H14N2O/c1-3-6(2)4-7-5-8-9/h6-7H,3-5H2,1-2H3
InChIKey
HPDWXKAIDOKHOC-UHFFFAOYSA-N
Compound name
2-methyl-N-(nitrosomethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

130.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.117886 128.5
[M+Na]+ 153.099828 134.4
[M-H]- 129.103334 130.1
[M+NH4]+ 148.144433 150.6
[M+K]+ 169.073768 135.3
[M+H-H2O]+ 113.107870 122.9
[M+HCOO]- 175.108811 155.2
[M+CH3COO]- 189.124461 181.4
[M+Na-2H]- 151.085276 135.2
[M]+ 130.11006142 130.1
[M]- 130.11115858 130.1
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

No patent data available for this compound.