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

236
Patents

114.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 125.1
[M+Na]+ 137.09368 134.7
[M+NH4]+ 132.13828 135.7
[M+K]+ 153.06762 128.8
[M-H]- 113.09718 126.2
[M+Na-2H]- 135.07913 131.1
[M]+ 114.10391 126.7
[M]- 114.10501 126.7
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