CID 53534947

2-methyl-1-[(oxan-4-yl)amino]propan-2-ol

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(CNC1CCOCC1)O
InChI
InChI=1S/C9H19NO2/c1-9(2,11)7-10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3
InChIKey
JRCNNLWYWYAKEO-UHFFFAOYSA-N
Compound name
2-methyl-1-(oxan-4-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

173.14159 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 140.1
[M+Na]+ 196.130808 143.6
[M-H]- 172.134314 142.0
[M+NH4]+ 191.175413 157.9
[M+K]+ 212.104748 143.7
[M+H-H2O]+ 156.138850 134.7
[M+HCOO]- 218.139791 157.8
[M+CH3COO]- 232.155441 179.0
[M+Na-2H]- 194.116256 146.9
[M]+ 173.14104142 136.1
[M]- 173.14213858 136.1
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