CID 40359

Brn 1432056

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC1(OC2=CC=CC=C2O1)CCN(CCO)CCO
InChI
InChI=1S/C14H21NO4/c1-14(6-7-15(8-10-16)9-11-17)18-12-4-2-3-5-13(12)19-14/h2-5,16-17H,6-11H2,1H3
InChIKey
CNGILMOYYWKPBU-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 161.8
[M+Na]+ 290.13628 167.5
[M-H]- 266.13978 165.7
[M+NH4]+ 285.18088 179.3
[M+K]+ 306.11022 167.6
[M+H-H2O]+ 250.14432 156.2
[M+HCOO]- 312.14526 181.2
[M+CH3COO]- 326.16091 196.4
[M+Na-2H]- 288.12173 168.1
[M]+ 267.14651 166.0
[M]- 267.14761 166.0
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