CID 49768185

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

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCN1CC[C@@H]([C@H](C1)O)O
InChI
InChI=1S/C9H19NO2/c1-2-3-5-10-6-4-8(11)9(12)7-10/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKey
UGOKZWJOUYXBPH-IUCAKERBSA-N
Compound name
(3S,4S)-1-butylpiperidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.3
[M+Na]+ 196.13081 146.6
[M-H]- 172.13431 140.1
[M+NH4]+ 191.17541 159.2
[M+K]+ 212.10475 144.5
[M+H-H2O]+ 156.13885 135.4
[M+HCOO]- 218.13979 157.5
[M+CH3COO]- 232.15544 176.2
[M+Na-2H]- 194.11626 144.0
[M]+ 173.14104 137.3
[M]- 173.14214 137.3
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.