CID 6448609

Brn 5810122

Structural Information

Molecular Formula
C13H23NO3
SMILES
CCCCO/C=C/C#CCN(CCO)CCO
InChI
InChI=1S/C13H23NO3/c1-2-3-12-17-13-6-4-5-7-14(8-10-15)9-11-16/h6,13,15-16H,2-3,7-12H2,1H3/b13-6+
InChIKey
BQZQQDVSAAKGGW-AWNIVKPZSA-N
Compound name
2-[[(E)-5-butoxypent-4-en-2-ynyl]-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 156.3
[M+Na]+ 264.15702 162.2
[M-H]- 240.16052 153.8
[M+NH4]+ 259.20162 171.2
[M+K]+ 280.13096 159.8
[M+H-H2O]+ 224.16506 144.4
[M+HCOO]- 286.16600 172.1
[M+CH3COO]- 300.18165 199.6
[M+Na-2H]- 262.14247 158.0
[M]+ 241.16725 154.1
[M]- 241.16835 154.1
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.