CID 519721

P-mentha-1,5-dien-7-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C1CC=C(C=C1)CO
InChI
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-5,8,10-11H,6-7H2,1-2H3
InChIKey
QPHLFYOPLZARDQ-UHFFFAOYSA-N
Compound name
(4-propan-2-ylcyclohexa-1,5-dien-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.9
[M+Na]+ 175.10934 140.1
[M-H]- 151.11284 136.0
[M+NH4]+ 170.15394 154.6
[M+K]+ 191.08328 138.3
[M+H-H2O]+ 135.11738 128.8
[M+HCOO]- 197.11832 154.4
[M+CH3COO]- 211.13397 176.0
[M+Na-2H]- 173.09479 138.2
[M]+ 152.11957 132.0
[M]- 152.12067 132.0
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