CID 92278860

Einecs 263-251-7

Structural Information

Molecular Formula
C16H26O
SMILES
CC1(CCC(=C2[C@@]13CC[C@@H](C3)C2(C)C)CO)C
InChI
InChI=1S/C16H26O/c1-14(2)7-5-11(10-17)13-15(3,4)12-6-8-16(13,14)9-12/h12,17H,5-10H2,1-4H3/t12-,16-/m0/s1
InChIKey
SQQNKCAPKQIRBP-LRDDRELGSA-N
Compound name
[(1R,8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

234.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 157.2
[M+Na]+ 257.18758 165.8
[M-H]- 233.19108 160.7
[M+NH4]+ 252.23218 186.7
[M+K]+ 273.16152 160.9
[M+H-H2O]+ 217.19562 154.0
[M+HCOO]- 279.19656 173.5
[M+CH3COO]- 293.21221 192.3
[M+Na-2H]- 255.17303 160.2
[M]+ 234.19781 156.5
[M]- 234.19891 156.5
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