CID 12835463

6-nonen-2-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC/C=C/CCCC(C)O
InChI
InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h4-5,9-10H,3,6-8H2,1-2H3/b5-4+
InChIKey
QDFDXJMZVKJYKY-SNAWJCMRSA-N
Compound name
(E)-non-6-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

142.13577 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.5
[M+Na]+ 165.12499 141.3
[M-H]- 141.12849 134.1
[M+NH4]+ 160.16959 156.7
[M+K]+ 181.09893 139.7
[M+H-H2O]+ 125.13303 131.1
[M+HCOO]- 187.13397 156.3
[M+CH3COO]- 201.14962 174.8
[M+Na-2H]- 163.11044 139.3
[M]+ 142.13522 136.1
[M]- 142.13632 136.1
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