CID 13147009

2-propanol, 1-butoxy-3-(dimethylamino)-

Structural Information

Molecular Formula
C9H21NO2
SMILES
CCCCOCC(CN(C)C)O
InChI
InChI=1S/C9H21NO2/c1-4-5-6-12-8-9(11)7-10(2)3/h9,11H,4-8H2,1-3H3
InChIKey
SDWZQKKODUFTEY-UHFFFAOYSA-N
Compound name
1-butoxy-3-(dimethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

507
Patents

175.15723 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.16451 144.0
[M+Na]+ 198.14645 148.6
[M-H]- 174.14995 143.8
[M+NH4]+ 193.19105 164.1
[M+K]+ 214.12039 149.5
[M+H-H2O]+ 158.15449 138.4
[M+HCOO]- 220.15543 166.3
[M+CH3COO]- 234.17108 186.7
[M+Na-2H]- 196.13190 147.1
[M]+ 175.15668 147.2
[M]- 175.15778 147.2
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