CID 11658397

Cassyrane

Structural Information

Molecular Formula
C12H22O
SMILES
CCCC1(C=CC(O1)C)C(C)(C)C
InChI
InChI=1S/C12H22O/c1-6-8-12(11(3,4)5)9-7-10(2)13-12/h7,9-10H,6,8H2,1-5H3
InChIKey
BWJMAXUUBRFWGV-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-methyl-5-propyl-2H-furan
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

375
Patents

182.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 142.1
[M+Na]+ 205.156288 149.6
[M-H]- 181.159794 146.4
[M+NH4]+ 200.200893 165.3
[M+K]+ 221.130228 149.5
[M+H-H2O]+ 165.164330 138.6
[M+HCOO]- 227.165271 162.8
[M+CH3COO]- 241.180921 183.3
[M+Na-2H]- 203.141736 148.1
[M]+ 182.16652142 144.6
[M]- 182.16761858 144.6
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