CID 52577

73816-66-7

Structural Information

Molecular Formula
C14H26N2
SMILES
CCN(CC)CCN1CC2CC=CCC2C1
InChI
InChI=1S/C14H26N2/c1-3-15(4-2)9-10-16-11-13-7-5-6-8-14(13)12-16/h5-6,13-14H,3-4,7-12H2,1-2H3
InChIKey
CIWMWEHUOHWVMX-UHFFFAOYSA-N
Compound name
2-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.2096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.216876 156.6
[M+Na]+ 245.198818 160.2
[M-H]- 221.202324 159.5
[M+NH4]+ 240.243423 176.7
[M+K]+ 261.172758 158.3
[M+H-H2O]+ 205.206860 148.9
[M+HCOO]- 267.207801 175.9
[M+CH3COO]- 281.223451 196.9
[M+Na-2H]- 243.184266 158.5
[M]+ 222.20905142 154.8
[M]- 222.21014858 154.8
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.