CID 70685

2,4-dimethylpentan-3-one oxime

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)C(=NO)C(C)C
InChI
InChI=1S/C7H15NO/c1-5(2)7(8-9)6(3)4/h5-6,9H,1-4H3
InChIKey
PULCKIYKBGOTTG-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylpentan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2785
Patents

129.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 130.6
[M+Na]+ 152.104588 136.2
[M-H]- 128.108094 131.0
[M+NH4]+ 147.149193 152.4
[M+K]+ 168.078528 137.0
[M+H-H2O]+ 112.112630 125.9
[M+HCOO]- 174.113571 152.5
[M+CH3COO]- 188.129221 178.0
[M+Na-2H]- 150.090036 133.5
[M]+ 129.11482142 130.1
[M]- 129.11591858 130.1
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