CID 551296

1,2-dimethylcyclopentan-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CC1CCCC1(C)O
InChI
InChI=1S/C7H14O/c1-6-4-3-5-7(6,2)8/h6,8H,3-5H2,1-2H3
InChIKey
NLNMBQJPOSCBCN-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

114.10446 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 123.6
[M+Na]+ 137.093678 131.2
[M-H]- 113.097184 126.1
[M+NH4]+ 132.138283 149.6
[M+K]+ 153.067618 130.2
[M+H-H2O]+ 97.101720 120.2
[M+HCOO]- 159.102661 145.4
[M+CH3COO]- 173.118311 166.2
[M+Na-2H]- 135.079126 128.7
[M]+ 114.10391142 120.8
[M]- 114.10500858 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

literature stripe

Patent stripe

patents stripe