CID 162002

Cedrol formate

Structural Information

Molecular Formula
C16H26O2
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC=O
InChI
InChI=1S/C16H26O2/c1-11-5-6-12-14(2,3)13-9-16(11,12)8-7-15(13,4)18-10-17/h10-13H,5-9H2,1-4H3/t11-,12+,13-,15-,16+/m1/s1
InChIKey
AHZYNUWTBDLJHG-RHBQXOTJSA-N
Compound name
[(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] formate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

608
Patents

250.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 160.0
[M+Na]+ 273.18250 168.0
[M-H]- 249.18600 164.2
[M+NH4]+ 268.22710 189.2
[M+K]+ 289.15644 164.1
[M+H-H2O]+ 233.19054 156.6
[M+HCOO]- 295.19148 176.5
[M+CH3COO]- 309.20713 196.4
[M+Na-2H]- 271.16795 162.6
[M]+ 250.19273 160.3
[M]- 250.19383 160.3
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