CID 16793685

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

Structural Information

Molecular Formula
C5H14N2O
SMILES
CN(C)CC(CN)O
InChI
InChI=1S/C5H14N2O/c1-7(2)4-5(8)3-6/h5,8H,3-4,6H2,1-2H3
InChIKey
QIDAFVGPTLOALB-UHFFFAOYSA-N
Compound name
1-amino-3-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

118.11061 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.11789 127.1
[M+Na]+ 141.09983 132.5
[M-H]- 117.10333 127.0
[M+NH4]+ 136.14443 148.7
[M+K]+ 157.07377 133.5
[M+H-H2O]+ 101.10787 121.8
[M+HCOO]- 163.10881 150.8
[M+CH3COO]- 177.12446 176.9
[M+Na-2H]- 139.08528 131.3
[M]+ 118.11006 125.4
[M]- 118.11116 125.4
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