CID 97749

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

Structural Information

Molecular Formula
C7H18N2O
SMILES
CCN(CC)CC(CN)O
InChI
InChI=1S/C7H18N2O/c1-3-9(4-2)6-7(10)5-8/h7,10H,3-6,8H2,1-2H3
InChIKey
LEJMOTVCCRDZNE-UHFFFAOYSA-N
Compound name
1-amino-3-(diethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

217
Patents

146.1419 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.14918 136.3
[M+Na]+ 169.13112 140.8
[M-H]- 145.13462 135.8
[M+NH4]+ 164.17572 156.8
[M+K]+ 185.10506 141.3
[M+H-H2O]+ 129.13916 130.7
[M+HCOO]- 191.14010 159.3
[M+CH3COO]- 205.15575 182.9
[M+Na-2H]- 167.11657 139.4
[M]+ 146.14135 135.3
[M]- 146.14245 135.3
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

No patent data available for this compound.