CID 6443020

(r)-nephthenol

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C\CC/C(=C/C[C@@H](CC/C(=C/CC1)/C)C(C)(C)O)/C
InChI
InChI=1S/C20H34O/c1-16-8-6-10-17(2)12-14-19(20(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,19,21H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t19-/m0/s1
InChIKey
ZJWQYSDAWSDJRA-QPHFJTKNSA-N
Compound name
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

290.26096 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 171.2
[M+Na]+ 313.25018 175.3
[M-H]- 289.25368 171.5
[M+NH4]+ 308.29478 184.0
[M+K]+ 329.22412 172.4
[M+H-H2O]+ 273.25822 169.0
[M+HCOO]- 335.25916 185.8
[M+CH3COO]- 349.27481 197.6
[M+Na-2H]- 311.23563 170.4
[M]+ 290.26041 164.7
[M]- 290.26151 164.7
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