CID 94867

3-(dibutylamino)propane-1,2-diol

Structural Information

Molecular Formula
C11H25NO2
SMILES
CCCCN(CCCC)CC(CO)O
InChI
InChI=1S/C11H25NO2/c1-3-5-7-12(8-6-4-2)9-11(14)10-13/h11,13-14H,3-10H2,1-2H3
InChIKey
LQMJZQGFZJSAJH-UHFFFAOYSA-N
Compound name
3-(dibutylamino)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

203.18852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.195796 153.8
[M+Na]+ 226.177738 157.1
[M-H]- 202.181244 151.8
[M+NH4]+ 221.222343 171.9
[M+K]+ 242.151678 156.5
[M+H-H2O]+ 186.185780 148.0
[M+HCOO]- 248.186721 173.9
[M+CH3COO]- 262.202371 190.1
[M+Na-2H]- 224.163186 155.2
[M]+ 203.18797142 155.8
[M]- 203.18906858 155.8
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