CID 11564779

2-(4-aminobutyl)-2,3-dihydro-1h-isoindole-1,3-dione hydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN
InChI
InChI=1S/C12H14N2O2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8,13H2
InChIKey
GZCFMVCWRGPDLV-UHFFFAOYSA-N
Compound name
2-(4-aminobutyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

218.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 147.6
[M+Na]+ 241.09475 156.4
[M-H]- 217.09825 150.5
[M+NH4]+ 236.13935 167.5
[M+K]+ 257.06869 152.6
[M+H-H2O]+ 201.10279 141.1
[M+HCOO]- 263.10373 170.3
[M+CH3COO]- 277.11938 190.8
[M+Na-2H]- 239.08020 151.2
[M]+ 218.10498 148.1
[M]- 218.10608 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe