CID 662350

1-amino-3-(propan-2-yloxy)propan-2-ol

Structural Information

Molecular Formula
C6H15NO2
SMILES
CC(C)OCC(CN)O
InChI
InChI=1S/C6H15NO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4,7H2,1-2H3
InChIKey
JYUZUSPLWIAHDJ-UHFFFAOYSA-N
Compound name
1-amino-3-propan-2-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

46
Patents

133.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.11756 131.2
[M+Na]+ 156.09950 136.7
[M-H]- 132.10300 129.6
[M+NH4]+ 151.14410 151.9
[M+K]+ 172.07344 136.9
[M+H-H2O]+ 116.10754 126.4
[M+HCOO]- 178.10848 152.3
[M+CH3COO]- 192.12413 174.3
[M+Na-2H]- 154.08495 134.2
[M]+ 133.10973 130.3
[M]- 133.11083 130.3
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

patents stripe