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]+ 129.12740 128.3
[M+Na]+ 151.10934 135.4
[M-H]- 127.11284 130.5
[M+NH4]+ 146.15394 153.7
[M+K]+ 167.08328 134.1
[M+H-H2O]+ 111.11738 124.6
[M+HCOO]- 173.11832 149.6
[M+CH3COO]- 187.13397 169.2
[M+Na-2H]- 149.09479 132.8
[M]+ 128.11957 125.8
[M]- 128.12067 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