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

26
Patents

99.06841 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.0
[M+Na]+ 122.05763 126.2
[M-H]- 98.061134 119.6
[M+NH4]+ 117.10223 142.1
[M+K]+ 138.03157 126.0
[M+H-H2O]+ 82.065670 114.6
[M+HCOO]- 144.06661 143.8
[M+CH3COO]- 158.08226 169.1
[M+Na-2H]- 120.04308 125.7
[M]+ 99.067861 118.4
[M]- 99.068959 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