CID 9793689

N-(prop-2-yn-1-yl)hydroxylamine hydrochloride

Structural Information

Molecular Formula
C3H5NO
SMILES
C#CCNO
InChI
InChI=1S/C3H5NO/c1-2-3-4-5/h1,4-5H,3H2
InChIKey
GXELRIQNUPNXJU-UHFFFAOYSA-N
Compound name
N-prop-2-ynylhydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

71.03712 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 111.0
[M+Na]+ 94.026338 120.4
[M-H]- 70.029844 109.9
[M+NH4]+ 89.070943 131.9
[M+K]+ 110.00028 119.5
[M+H-H2O]+ 54.034380 101.1
[M+HCOO]- 116.03532 129.8
[M+CH3COO]- 130.05097 170.8
[M+Na-2H]- 92.011786 118.5
[M]+ 71.036571 104.2
[M]- 71.037669 104.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe