CID 17785638

3-amino-2-(oxan-4-yl)propan-1-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
C1COCCC1C(CN)CO
InChI
InChI=1S/C8H17NO2/c9-5-8(6-10)7-1-3-11-4-2-7/h7-8,10H,1-6,9H2
InChIKey
PPPKJYFPGVXYOQ-UHFFFAOYSA-N
Compound name
3-amino-2-(oxan-4-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

159.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.3
[M+Na]+ 182.11515 140.4
[M-H]- 158.11865 138.5
[M+NH4]+ 177.15975 155.1
[M+K]+ 198.08909 140.4
[M+H-H2O]+ 142.12319 131.4
[M+HCOO]- 204.12413 155.2
[M+CH3COO]- 218.13978 175.8
[M+Na-2H]- 180.10060 141.4
[M]+ 159.12538 131.7
[M]- 159.12648 131.7
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

patents stripe