CID 79121

Sodium acetone oximate

Structural Information

Molecular Formula
C3H7NO
SMILES
CC(C)N=O
InChI
InChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3
InChIKey
NDEOFSCLJFPNSR-UHFFFAOYSA-N
Compound name
2-nitrosopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2811
Patents

73.052765 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 110.0
[M+Na]+ 96.041983 118.1
[M-H]- 72.045489 112.4
[M+NH4]+ 91.086588 134.9
[M+K]+ 112.01592 120.0
[M+H-H2O]+ 56.050025 105.7
[M+HCOO]- 118.05097 136.8
[M+CH3COO]- 132.06662 167.5
[M+Na-2H]- 94.027431 118.3
[M]+ 73.052216 111.4
[M]- 73.053314 111.4
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