CID 10845802

1-(2,3-dihydro-1h-inden-1-yl)piperazine

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2=CC=CC=C2C1N3CCNCC3
InChI
InChI=1S/C13H18N2/c1-2-4-12-11(3-1)5-6-13(12)15-9-7-14-8-10-15/h1-4,13-14H,5-10H2
InChIKey
PWOUAMWQYHOLIB-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-1-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

202.147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 147.0
[M+Na]+ 225.13622 151.8
[M-H]- 201.13972 149.2
[M+NH4]+ 220.18082 165.0
[M+K]+ 241.11016 147.2
[M+H-H2O]+ 185.14426 138.6
[M+HCOO]- 247.14520 162.4
[M+CH3COO]- 261.16085 157.5
[M+Na-2H]- 223.12167 150.5
[M]+ 202.14645 139.0
[M]- 202.14755 139.0
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