CID 12867358

3,3-dimethylcyclopentan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1(CCC(C1)O)C
InChI
InChI=1S/C7H14O/c1-7(2)4-3-6(8)5-7/h6,8H,3-5H2,1-2H3
InChIKey
QKFKROULLRFXMV-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

114.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 123.6
[M+Na]+ 137.09368 131.2
[M-H]- 113.09718 126.1
[M+NH4]+ 132.13828 149.6
[M+K]+ 153.06762 130.2
[M+H-H2O]+ 97.101720 120.2
[M+HCOO]- 159.10266 145.4
[M+CH3COO]- 173.11831 166.2
[M+Na-2H]- 135.07913 128.7
[M]+ 114.10391 120.8
[M]- 114.10501 120.8
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