CID 131752057

Tricyclo[2.2.1.02,6]heptane-3-ethanol, 2,3-dimethyl-, stereoisomer

Structural Information

Molecular Formula
C11H18O
SMILES
CC1(C2CC3C1(C3C2)C)CCO
InChI
InChI=1S/C11H18O/c1-10(3-4-12)7-5-8-9(6-7)11(8,10)2/h7-9,12H,3-6H2,1-2H3
InChIKey
KIIXOVVGHFZKMM-UHFFFAOYSA-N
Compound name
2-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.13577 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 136.6
[M+Na]+ 189.124988 147.3
[M-H]- 165.128494 138.3
[M+NH4]+ 184.169593 164.7
[M+K]+ 205.098928 142.5
[M+H-H2O]+ 149.133030 135.1
[M+HCOO]- 211.133971 152.0
[M+CH3COO]- 225.149621 150.0
[M+Na-2H]- 187.110436 143.2
[M]+ 166.13522142 145.2
[M]- 166.13631858 145.2
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