CID 62384881

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.12593 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.3
[M+Na]+ 182.115148 140.4
[M-H]- 158.118654 138.5
[M+NH4]+ 177.159753 155.1
[M+K]+ 198.089088 140.4
[M+H-H2O]+ 142.123190 131.4
[M+HCOO]- 204.124131 155.2
[M+CH3COO]- 218.139781 175.8
[M+Na-2H]- 180.100596 141.4
[M]+ 159.12538142 131.7
[M]- 159.12647858 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

No patent data available for this compound.