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

41
Patents

133.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.117556 131.2
[M+Na]+ 156.099498 136.7
[M-H]- 132.103004 129.6
[M+NH4]+ 151.144103 151.9
[M+K]+ 172.073438 136.9
[M+H-H2O]+ 116.107540 126.4
[M+HCOO]- 178.108481 152.3
[M+CH3COO]- 192.124131 174.3
[M+Na-2H]- 154.084946 134.2
[M]+ 133.10973142 130.3
[M]- 133.11082858 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