CID 49768184

(3s,4s)-1-propylpiperidine-3,4-diol

Structural Information

Molecular Formula
C8H17NO2
SMILES
CCCN1CC[C@@H]([C@H](C1)O)O
InChI
InChI=1S/C8H17NO2/c1-2-4-9-5-3-7(10)8(11)6-9/h7-8,10-11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKey
WRJKKPQGYOJWRW-YUMQZZPRSA-N
Compound name
(3S,4S)-1-propylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.8
[M+Na]+ 182.11515 142.5
[M-H]- 158.11865 135.8
[M+NH4]+ 177.15975 155.2
[M+K]+ 198.08909 140.7
[M+H-H2O]+ 142.12319 131.1
[M+HCOO]- 204.12413 153.4
[M+CH3COO]- 218.13978 173.1
[M+Na-2H]- 180.10060 140.1
[M]+ 159.12538 132.4
[M]- 159.12648 132.4
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.