CID 12422982

1-cyclopropylhexan-1-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CCCCCC(C1CC1)O
InChI
InChI=1S/C9H18O/c1-2-3-4-5-9(10)8-6-7-8/h8-10H,2-7H2,1H3
InChIKey
WORZTKGENJDWCD-UHFFFAOYSA-N
Compound name
1-cyclopropylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

142.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.143046 132.3
[M+Na]+ 165.124988 139.7
[M-H]- 141.128494 135.3
[M+NH4]+ 160.169593 148.6
[M+K]+ 181.098928 137.5
[M+H-H2O]+ 125.133030 126.6
[M+HCOO]- 187.133971 153.5
[M+CH3COO]- 201.149621 178.4
[M+Na-2H]- 163.110436 137.0
[M]+ 142.13522142 134.9
[M]- 142.13631858 134.9
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