CID 578221

Teresantalol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CC3C1(C3C2)C)CO
InChI
InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
InChIKey
ZWUWJJHLJNLVDD-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.4
[M+Na]+ 175.109338 143.5
[M-H]- 151.112844 134.2
[M+NH4]+ 170.153943 160.9
[M+K]+ 191.083278 138.8
[M+H-H2O]+ 135.117380 131.0
[M+HCOO]- 197.118321 148.1
[M+CH3COO]- 211.133971 146.1
[M+Na-2H]- 173.094786 139.5
[M]+ 152.11957142 140.6
[M]- 152.12066858 140.6
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