CID 15681290

O-(but-3-yn-1-yl)hydroxylamine

Structural Information

Molecular Formula
C4H7NO
SMILES
C#CCCON
InChI
InChI=1S/C4H7NO/c1-2-3-4-6-5/h1H,3-5H2
InChIKey
RYFKUDWSHWABTJ-UHFFFAOYSA-N
Compound name
O-but-3-ynylhydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

85.052765 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 113.9
[M+Na]+ 108.04198 123.4
[M-H]- 84.045489 113.5
[M+NH4]+ 103.08659 134.8
[M+K]+ 124.01592 122.8
[M+H-H2O]+ 68.050025 103.7
[M+HCOO]- 130.05097 133.3
[M+CH3COO]- 144.06662 175.3
[M+Na-2H]- 106.02743 120.7
[M]+ 85.052216 108.4
[M]- 85.053314 108.4
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