CID 131751871

(e)-3-(tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol

Structural Information

Molecular Formula
C10H18O2
SMILES
C/C(=C/CO)/C1CCC(O1)(C)C
InChI
InChI=1S/C10H18O2/c1-8(5-7-11)9-4-6-10(2,3)12-9/h5,9,11H,4,6-7H2,1-3H3/b8-5-
InChIKey
MCCVCDVTCCDPLO-YVMONPNESA-N
Compound name
(Z)-3-(5,5-dimethyloxolan-2-yl)but-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.2
[M+Na]+ 193.11990 145.6
[M-H]- 169.12340 141.8
[M+NH4]+ 188.16450 161.6
[M+K]+ 209.09384 145.1
[M+H-H2O]+ 153.12794 135.5
[M+HCOO]- 215.12888 158.5
[M+CH3COO]- 229.14453 176.5
[M+Na-2H]- 191.10535 142.6
[M]+ 170.13013 138.2
[M]- 170.13123 138.2
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

patents stripe