CID 137962

1,3-bis-(diethylamino)-2-propanol

Structural Information

Molecular Formula
C11H26N2O
SMILES
CCN(CC)CC(CN(CC)CC)O
InChI
InChI=1S/C11H26N2O/c1-5-12(6-2)9-11(14)10-13(7-3)8-4/h11,14H,5-10H2,1-4H3
InChIKey
CDBMNYGKGNXEIG-UHFFFAOYSA-N
Compound name
1,3-bis(diethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

202.20451 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.21179 154.7
[M+Na]+ 225.19373 157.7
[M-H]- 201.19723 155.5
[M+NH4]+ 220.23833 173.9
[M+K]+ 241.16767 159.0
[M+H-H2O]+ 185.20177 148.1
[M+HCOO]- 247.20271 177.5
[M+CH3COO]- 261.21836 199.2
[M+Na-2H]- 223.17918 156.0
[M]+ 202.20396 157.6
[M]- 202.20506 157.6
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