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]+ 223.21688 156.6
[M+Na]+ 245.19882 160.2
[M-H]- 221.20232 159.5
[M+NH4]+ 240.24342 176.7
[M+K]+ 261.17276 158.3
[M+H-H2O]+ 205.20686 148.9
[M+HCOO]- 267.20780 175.9
[M+CH3COO]- 281.22345 196.9
[M+Na-2H]- 243.18427 158.5
[M]+ 222.20905 154.8
[M]- 222.21015 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.