CID 13802587

Peg-3 caprylamine

Structural Information

Molecular Formula
C14H31NO3
SMILES
CCCCCCCCN(CCO)CCOCCO
InChI
InChI=1S/C14H31NO3/c1-2-3-4-5-6-7-8-15(9-11-16)10-13-18-14-12-17/h16-17H,2-14H2,1H3
InChIKey
CHGRVRCHXOZULD-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethyl-octylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.2304 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.23768 168.9
[M+Na]+ 284.21962 171.1
[M-H]- 260.22312 166.1
[M+NH4]+ 279.26422 184.7
[M+K]+ 300.19356 169.7
[M+H-H2O]+ 244.22766 162.2
[M+HCOO]- 306.22860 189.3
[M+CH3COO]- 320.24425 200.2
[M+Na-2H]- 282.20507 170.1
[M]+ 261.22985 174.2
[M]- 261.23095 174.2
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

No patent data available for this compound.