CID 9588109

3-thujanone, (+)-, 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]+ 168.138286 136.8
[M+Na]+ 190.120228 146.7
[M-H]- 166.123734 142.4
[M+NH4]+ 185.164833 157.4
[M+K]+ 206.094168 143.7
[M+H-H2O]+ 150.128270 132.7
[M+HCOO]- 212.129211 159.4
[M+CH3COO]- 226.144861 185.5
[M+Na-2H]- 188.105676 142.4
[M]+ 167.13046142 139.8
[M]- 167.13155858 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.