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 136.8
[M+Na]+ 190.12023 146.7
[M-H]- 166.12373 142.4
[M+NH4]+ 185.16483 157.4
[M+K]+ 206.09417 143.7
[M+H-H2O]+ 150.12827 132.7
[M+HCOO]- 212.12921 159.4
[M+CH3COO]- 226.14486 185.5
[M+Na-2H]- 188.10568 142.4
[M]+ 167.13046 139.8
[M]- 167.13156 139.8
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.