CID 52573

Isoindoline, 2-(diethylaminoethyl)-

Structural Information

Molecular Formula
C14H22N2
SMILES
CCN(CC)CCN1CC2=CC=CC=C2C1
InChI
InChI=1S/C14H22N2/c1-3-15(4-2)9-10-16-11-13-7-5-6-8-14(13)12-16/h5-8H,3-4,9-12H2,1-2H3
InChIKey
ZLAHMPYKIVXKFE-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroisoindol-2-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.1783 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 153.2
[M+Na]+ 241.16752 159.0
[M-H]- 217.17102 156.9
[M+NH4]+ 236.21212 173.7
[M+K]+ 257.14146 156.6
[M+H-H2O]+ 201.17556 145.6
[M+HCOO]- 263.17650 175.6
[M+CH3COO]- 277.19215 196.2
[M+Na-2H]- 239.15297 157.2
[M]+ 218.17775 154.4
[M]- 218.17885 154.4
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