CID 68124095

1-terpinen-5-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC1=CCC(C(C1)O)C(C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h4,7,9-11H,5-6H2,1-3H3
InChIKey
UDQXLNRIDGDFAR-UHFFFAOYSA-N
Compound name
3-methyl-6-propan-2-ylcyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

154.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.0
[M+Na]+ 177.12499 141.1
[M-H]- 153.12849 137.1
[M+NH4]+ 172.16959 155.9
[M+K]+ 193.09893 139.6
[M+H-H2O]+ 137.13303 130.2
[M+HCOO]- 199.13397 154.0
[M+CH3COO]- 213.14962 177.6
[M+Na-2H]- 175.11044 137.6
[M]+ 154.13522 132.1
[M]- 154.13632 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