CID 9548566

2-methylpropanal o-methyloxime

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)/C=N/OC
InChI
InChI=1S/C5H11NO/c1-5(2)4-6-7-3/h4-5H,1-3H3/b6-4+
InChIKey
BWDHKWDASNPZLC-GQCTYLIASA-N
Compound name
(E)-N-methoxy-2-methylpropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

101.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.7
[M+Na]+ 124.07328 127.0
[M-H]- 100.07678 121.7
[M+NH4]+ 119.11788 143.5
[M+K]+ 140.04722 128.4
[M+H-H2O]+ 84.081320 115.0
[M+HCOO]- 146.08226 145.8
[M+CH3COO]- 160.09791 172.9
[M+Na-2H]- 122.05873 126.9
[M]+ 101.08351 121.7
[M]- 101.08461 121.7
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