CID 9588109

Isothujone oxime

Structural Information

Molecular Formula
C10H17NO
SMILES
CCC[C@]12C[C@H]1[C@@H](/C(=N\O)/C2)C
InChI
InChI=1S/C10H17NO/c1-3-4-10-5-8(10)7(2)9(6-10)11-12/h7-8,12H,3-6H2,1-2H3/b11-9-/t7-,8-,10+/m0/s1
InChIKey
FVBIHMBHOSGMNG-LOUJOBDPSA-N
Compound name
(NZ)-N-[(1R,4S,5S)-4-methyl-1-propyl-3-bicyclo[3.1.0]hexanylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 137.2
[M+Na]+ 190.12023 148.1
[M+NH4]+ 185.16483 148.0
[M+K]+ 206.09417 143.4
[M-H]- 166.12373 145.8
[M+Na-2H]- 188.10568 144.4
[M]+ 167.13046 142.3
[M]- 167.13156 142.3
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

No patent data available for this compound.