CID 104349

2,2'-(heptylimino)bisethanol

Structural Information

Molecular Formula
C11H25NO2
SMILES
CCCCCCCN(CCO)CCO
InChI
InChI=1S/C11H25NO2/c1-2-3-4-5-6-7-12(8-10-13)9-11-14/h13-14H,2-11H2,1H3
InChIKey
YRQDJBCEANHKAV-UHFFFAOYSA-N
Compound name
2-[heptyl(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

203.18852 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.19580 153.0
[M+Na]+ 226.17774 156.5
[M-H]- 202.18124 150.8
[M+NH4]+ 221.22234 171.1
[M+K]+ 242.15168 155.4
[M+H-H2O]+ 186.18578 147.1
[M+HCOO]- 248.18672 174.1
[M+CH3COO]- 262.20237 189.2
[M+Na-2H]- 224.16319 155.7
[M]+ 203.18797 155.6
[M]- 203.18907 155.6
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

No patent data available for this compound.