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

160
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

literature stripe

Patent stripe

patents stripe