CID 57509397

Guaidiol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=C)C1CCC(C2CCC(C2C1)(C)O)(C)O
InChI
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h11-13,16-17H,1,5-9H2,2-4H3
InChIKey
RQHOQQOEZPFYTD-UHFFFAOYSA-N
Compound name
1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 154.7
[M+Na]+ 261.18250 158.9
[M-H]- 237.18600 157.2
[M+NH4]+ 256.22710 176.4
[M+K]+ 277.15644 157.7
[M+H-H2O]+ 221.19054 151.6
[M+HCOO]- 283.19148 167.9
[M+CH3COO]- 297.20713 191.3
[M+Na-2H]- 259.16795 154.7
[M]+ 238.19273 147.0
[M]- 238.19383 147.0
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

No patent data available for this compound.