CID 90779

6-methylhept-5-en-2-one oxime

Structural Information

Molecular Formula
C8H15NO
SMILES
CC(=CCCC(=NO)C)C
InChI
InChI=1S/C8H15NO/c1-7(2)5-4-6-8(3)9-10/h5,10H,4,6H2,1-3H3
InChIKey
UUTIAUFCXVFAOM-UHFFFAOYSA-N
Compound name
N-(6-methylhept-5-en-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

141.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 133.6
[M+Na]+ 164.104588 139.5
[M-H]- 140.108094 133.9
[M+NH4]+ 159.149193 155.1
[M+K]+ 180.078528 138.9
[M+H-H2O]+ 124.112630 128.8
[M+HCOO]- 186.113571 156.5
[M+CH3COO]- 200.129221 178.5
[M+Na-2H]- 162.090036 137.3
[M]+ 141.11482142 133.4
[M]- 141.11591858 133.4
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