CID 5748799

(4s)-4-propylnonan-1-ol

Structural Information

Molecular Formula
C12H26O
SMILES
CCCCC[C@H](CCC)CCCO
InChI
InChI=1S/C12H26O/c1-3-5-6-9-12(8-4-2)10-7-11-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKey
YJIYBYOWBOONOU-LBPRGKRZSA-N
Compound name
(4S)-4-propylnonan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.205636 150.8
[M+Na]+ 209.187578 154.9
[M-H]- 185.191084 148.7
[M+NH4]+ 204.232183 170.2
[M+K]+ 225.161518 153.2
[M+H-H2O]+ 169.195620 145.6
[M+HCOO]- 231.196561 170.4
[M+CH3COO]- 245.212211 185.5
[M+Na-2H]- 207.173026 152.9
[M]+ 186.19781142 153.3
[M]- 186.19890858 153.3
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

No patent data available for this compound.