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]+ 131.11789 128.5
[M+Na]+ 153.09983 134.4
[M-H]- 129.10333 130.1
[M+NH4]+ 148.14443 150.6
[M+K]+ 169.07377 135.3
[M+H-H2O]+ 113.10787 122.9
[M+HCOO]- 175.10881 155.2
[M+CH3COO]- 189.12446 181.4
[M+Na-2H]- 151.08528 135.2
[M]+ 130.11006 130.1
[M]- 130.11116 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.