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]+ 143.14305 134.1
[M+Na]+ 165.12499 139.8
[M-H]- 141.12849 135.7
[M+NH4]+ 160.16959 156.9
[M+K]+ 181.09893 138.2
[M+H-H2O]+ 125.13303 129.3
[M+HCOO]- 187.13397 155.1
[M+CH3COO]- 201.14962 172.7
[M+Na-2H]- 163.11044 136.8
[M]+ 142.13522 131.7
[M]- 142.13632 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