CID 8748

Beta-terpineol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=C)C1CCC(CC1)(C)O
InChI
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3
InChIKey
RUJPNZNXGCHGID-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

7713
Patents

154.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.6
[M+Na]+ 177.124988 141.0
[M-H]- 153.128494 137.4
[M+NH4]+ 172.169593 158.1
[M+K]+ 193.098928 139.3
[M+H-H2O]+ 137.133030 131.6
[M+HCOO]- 199.133971 153.4
[M+CH3COO]- 213.149621 175.5
[M+Na-2H]- 175.110436 139.1
[M]+ 154.13522142 130.5
[M]- 154.13631858 130.5
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