CID 5324471

Propionaldehyde oxime

Structural Information

Molecular Formula
C3H7NO
SMILES
CC/C=N/O
InChI
InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3+
InChIKey
IFDZZSXEPSSHNC-ONEGZZNKSA-N
Compound name
(NE)-N-propylidenehydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

807
Patents

73.052765 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 110.6
[M+Na]+ 96.041983 118.6
[M-H]- 72.045489 111.5
[M+NH4]+ 91.086588 134.9
[M+K]+ 112.01592 119.1
[M+H-H2O]+ 56.050025 106.5
[M+HCOO]- 118.05097 136.9
[M+CH3COO]- 132.06662 163.2
[M+Na-2H]- 94.027431 119.6
[M]+ 73.052216 110.7
[M]- 73.053314 110.7
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