CID 57358937

3-hexanone, 2-methyl-, oxime

Structural Information

Molecular Formula
C7H15NO
SMILES
CCCC(=NO)C(C)C
InChI
InChI=1S/C7H15NO/c1-4-5-7(8-9)6(2)3/h6,9H,4-5H2,1-3H3
InChIKey
AHMNLRKVMYAESR-UHFFFAOYSA-N
Compound name
N-(2-methylhexan-3-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

129.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 130.4
[M+Na]+ 152.10459 136.3
[M-H]- 128.10809 130.7
[M+NH4]+ 147.14919 152.3
[M+K]+ 168.07853 136.6
[M+H-H2O]+ 112.11263 125.6
[M+HCOO]- 174.11357 153.3
[M+CH3COO]- 188.12922 177.1
[M+Na-2H]- 150.09004 134.6
[M]+ 129.11482 130.6
[M]- 129.11592 130.6
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