CID 5382393

2-methylcyclohexanone oxime

Structural Information

Molecular Formula
C7H13NO
SMILES
CC\1CCCC/C1=N\O
InChI
InChI=1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7+
InChIKey
MDIFHVYPHRHKLB-BQYQJAHWSA-N
Compound name
(NE)-N-(2-methylcyclohexylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

127.09972 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.0
[M+Na]+ 150.088938 131.6
[M-H]- 126.092444 129.2
[M+NH4]+ 145.133543 147.9
[M+K]+ 166.062878 130.8
[M+H-H2O]+ 110.096980 120.7
[M+HCOO]- 172.097921 148.3
[M+CH3COO]- 186.113571 172.7
[M+Na-2H]- 148.074386 131.9
[M]+ 127.09917142 121.1
[M]- 127.10026858 121.1
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