CID 58806258

(3,3-dimethylcyclopentyl)methanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1(CCC(C1)CO)C
InChI
InChI=1S/C8H16O/c1-8(2)4-3-7(5-8)6-9/h7,9H,3-6H2,1-2H3
InChIKey
LSZXVUJJTONWHR-UHFFFAOYSA-N
Compound name
(3,3-dimethylcyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

128.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 128.3
[M+Na]+ 151.109338 135.4
[M-H]- 127.112844 130.5
[M+NH4]+ 146.153943 153.7
[M+K]+ 167.083278 134.1
[M+H-H2O]+ 111.117380 124.6
[M+HCOO]- 173.118321 149.6
[M+CH3COO]- 187.133971 169.2
[M+Na-2H]- 149.094786 132.8
[M]+ 128.11957142 125.8
[M]- 128.12066858 125.8
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

patents stripe