CID 11230

Terpinen-4-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1=CCC(CC1)(C(C)C)O
InChI
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3
InChIKey
WRYLYDPHFGVWKC-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

346
References

13155
Patents

154.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.1
[M+Na]+ 177.124988 141.2
[M-H]- 153.128494 137.2
[M+NH4]+ 172.169593 157.7
[M+K]+ 193.098928 139.9
[M+H-H2O]+ 137.133030 130.9
[M+HCOO]- 199.133971 154.2
[M+CH3COO]- 213.149621 176.0
[M+Na-2H]- 175.110436 139.5
[M]+ 154.13522142 132.1
[M]- 154.13631858 132.1
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