CID 5273358

(2s,3r)-2-aminododecan-3-ol

Structural Information

Molecular Formula
C12H27NO
SMILES
CCCCCCCCC[C@H]([C@H](C)N)O
InChI
InChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h11-12,14H,3-10,13H2,1-2H3/t11-,12+/m0/s1
InChIKey
AGYWAEBSOUKZJQ-NWDGAFQWSA-N
Compound name
(2S,3R)-2-aminododecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

201.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.21654 156.0
[M+Na]+ 224.19848 158.9
[M-H]- 200.20198 153.2
[M+NH4]+ 219.24308 174.0
[M+K]+ 240.17242 157.2
[M+H-H2O]+ 184.20652 150.2
[M+HCOO]- 246.20746 174.9
[M+CH3COO]- 260.22311 190.5
[M+Na-2H]- 222.18393 155.7
[M]+ 201.20871 155.8
[M]- 201.20981 155.8
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

No patent data available for this compound.