CID 146742084

3-(3-methylcyclopentyl)propan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC1CCC(C1)CCCO
InChI
InChI=1S/C9H18O/c1-8-4-5-9(7-8)3-2-6-10/h8-10H,2-7H2,1H3
InChIKey
VSMWZUFETWHXQM-UHFFFAOYSA-N
Compound name
3-(3-methylcyclopentyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 134.1
[M+Na]+ 165.124988 139.8
[M-H]- 141.128494 135.7
[M+NH4]+ 160.169593 156.9
[M+K]+ 181.098928 138.2
[M+H-H2O]+ 125.133030 129.3
[M+HCOO]- 187.133971 155.1
[M+CH3COO]- 201.149621 172.7
[M+Na-2H]- 163.110436 136.8
[M]+ 142.13522142 131.7
[M]- 142.13631858 131.7
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