CID 2801745

3-pentanone oxime

Structural Information

Molecular Formula
C5H11NO
SMILES
CCC(=NO)CC
InChI
InChI=1S/C5H11NO/c1-3-5(4-2)6-7/h7H,3-4H2,1-2H3
InChIKey
NAQQTJZRCYNBRX-UHFFFAOYSA-N
Compound name
N-pentan-3-ylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3255
Patents

101.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 120.6
[M+Na]+ 124.073278 127.5
[M-H]- 100.076784 121.2
[M+NH4]+ 119.117883 143.7
[M+K]+ 140.047218 127.9
[M+H-H2O]+ 84.081320 116.1
[M+HCOO]- 146.082261 145.2
[M+CH3COO]- 160.097911 170.1
[M+Na-2H]- 122.058726 127.2
[M]+ 101.08351142 120.7
[M]- 101.08460858 120.7
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