CID 71361377

393517-28-7

Structural Information

Molecular Formula
C16H26O
SMILES
CC1(C[C@@H](C=C2[C@@]13CC[C@@H](C3)C2(C)C)OC)C
InChI
InChI=1S/C16H26O/c1-14(2)10-12(17-5)8-13-15(3,4)11-6-7-16(13,14)9-11/h8,11-12H,6-7,9-10H2,1-5H3/t11-,12+,16-/m0/s1
InChIKey
VIHCRGZIINXRHA-OZVIIMIRSA-N
Compound name
(1R,4S,8S)-4-methoxy-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

234.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 156.2
[M+Na]+ 257.187578 165.1
[M-H]- 233.191084 161.0
[M+NH4]+ 252.232183 186.4
[M+K]+ 273.161518 161.1
[M+H-H2O]+ 217.195620 152.6
[M+HCOO]- 279.196561 174.0
[M+CH3COO]- 293.212211 194.8
[M+Na-2H]- 255.173026 159.5
[M]+ 234.19781142 157.2
[M]- 234.19890858 157.2
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