CID 21896813

773841-56-8

Structural Information

Molecular Formula
C6H16N2O
SMILES
CN(C)CC(CCO)N
InChI
InChI=1S/C6H16N2O/c1-8(2)5-6(7)3-4-9/h6,9H,3-5,7H2,1-2H3
InChIKey
QFWDFUAVEWJERX-UHFFFAOYSA-N
Compound name
3-amino-4-(dimethylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

132.12627 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.13355 130.0
[M+Na]+ 155.11549 137.5
[M+NH4]+ 150.16009 137.3
[M+K]+ 171.08943 133.7
[M-H]- 131.11899 129.9
[M+Na-2H]- 153.10094 132.8
[M]+ 132.12572 130.6
[M]- 132.12682 130.6
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