CID 12830793

(1-methylcyclopentyl)methanol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CCCC1)CO
InChI
InChI=1S/C7H14O/c1-7(6-8)4-2-3-5-7/h8H,2-6H2,1H3
InChIKey
MXJAKZQKSYGLTK-UHFFFAOYSA-N
Compound name
(1-methylcyclopentyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 124.9
[M+Na]+ 137.093678 131.5
[M-H]- 113.097184 126.9
[M+NH4]+ 132.138283 150.5
[M+K]+ 153.067618 130.5
[M+H-H2O]+ 97.101720 121.1
[M+HCOO]- 159.102661 146.6
[M+CH3COO]- 173.118311 165.1
[M+Na-2H]- 135.079126 130.5
[M]+ 114.10391142 121.6
[M]- 114.10500858 121.6
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

patents stripe