CID 588959

1-[butyl(2-hydroxypropyl)amino]propan-2-ol

Structural Information

Molecular Formula
C10H23NO2
SMILES
CCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C10H23NO2/c1-4-5-6-11(7-9(2)12)8-10(3)13/h9-10,12-13H,4-8H2,1-3H3
InChIKey
UMXUEZVHHYJJQP-UHFFFAOYSA-N
Compound name
1-[butyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

189.17288 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.18016 149.7
[M+Na]+ 212.16210 153.3
[M-H]- 188.16560 148.0
[M+NH4]+ 207.20670 168.4
[M+K]+ 228.13604 153.4
[M+H-H2O]+ 172.17014 144.2
[M+HCOO]- 234.17108 169.2
[M+CH3COO]- 248.18673 188.0
[M+Na-2H]- 210.14755 150.3
[M]+ 189.17233 150.6
[M]- 189.17343 150.6
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