CID 21118182

Ucpjpizmbyixqc-uhfffaoysa-n

Structural Information

Molecular Formula
C9H16O
SMILES
CC1CC(C=C(C1)CO)C
InChI
InChI=1S/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h4,7-8,10H,3,5-6H2,1-2H3
InChIKey
UCPJPIZMBYIXQC-UHFFFAOYSA-N
Compound name
(3,5-dimethylcyclohexen-1-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.127396 130.3
[M+Na]+ 163.109338 137.1
[M-H]- 139.112844 132.5
[M+NH4]+ 158.153943 151.8
[M+K]+ 179.083278 135.4
[M+H-H2O]+ 123.117380 125.6
[M+HCOO]- 185.118321 150.7
[M+CH3COO]- 199.133971 173.7
[M+Na-2H]- 161.094786 134.7
[M]+ 140.11957142 127.6
[M]- 140.12066858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.