CID 90787

5-methylheptan-3-one oxime

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC(C)CC(=NO)CC
InChI
InChI=1S/C8H17NO/c1-4-7(3)6-8(5-2)9-10/h7,10H,4-6H2,1-3H3
InChIKey
CBVWMGCJNPPAAR-UHFFFAOYSA-N
Compound name
N-(5-methylheptan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6382
Patents

143.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 135.1
[M+Na]+ 166.12023 140.5
[M-H]- 142.12373 135.2
[M+NH4]+ 161.16483 156.4
[M+K]+ 182.09417 140.5
[M+H-H2O]+ 126.12827 130.1
[M+HCOO]- 188.12921 157.7
[M+CH3COO]- 202.14486 180.1
[M+Na-2H]- 164.10568 138.7
[M]+ 143.13046 135.6
[M]- 143.13156 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe