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

242
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 124.9
[M+Na]+ 137.09368 131.5
[M-H]- 113.09718 126.9
[M+NH4]+ 132.13828 150.5
[M+K]+ 153.06762 130.5
[M+H-H2O]+ 97.101720 121.1
[M+HCOO]- 159.10266 146.6
[M+CH3COO]- 173.11831 165.1
[M+Na-2H]- 135.07913 130.5
[M]+ 114.10391 121.6
[M]- 114.10501 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