CID 71332154

N-(2-methylidenebutylidene)hydroxylamine

Structural Information

Molecular Formula
C5H9NO
SMILES
CCC(=C)C=NO
InChI
InChI=1S/C5H9NO/c1-3-5(2)4-6-7/h4,7H,2-3H2,1H3
InChIKey
BFIKYTUABHTQET-UHFFFAOYSA-N
Compound name
N-(2-methylidenebutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

99.06841 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 119.0
[M+Na]+ 122.057628 126.2
[M-H]- 98.061134 119.6
[M+NH4]+ 117.102233 142.1
[M+K]+ 138.031568 126.0
[M+H-H2O]+ 82.065670 114.6
[M+HCOO]- 144.066611 143.8
[M+CH3COO]- 158.082261 169.1
[M+Na-2H]- 120.043076 125.7
[M]+ 99.06786142 118.4
[M]- 99.06895858 118.4
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