CID 60860616

1-(2,3-dihydro-1h-inden-5-yl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CC2=C(C1)C=C(C=C2)N3CCNCC3
InChI
InChI=1S/C13H18N2/c1-2-11-4-5-13(10-12(11)3-1)15-8-6-14-7-9-15/h4-5,10,14H,1-3,6-9H2
InChIKey
VXPXJJPLCBBUBU-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.154276 147.0
[M+Na]+ 225.136218 151.8
[M-H]- 201.139724 149.2
[M+NH4]+ 220.180823 165.0
[M+K]+ 241.110158 147.2
[M+H-H2O]+ 185.144260 138.6
[M+HCOO]- 247.145201 162.4
[M+CH3COO]- 261.160851 157.5
[M+Na-2H]- 223.121666 150.5
[M]+ 202.14645142 139.0
[M]- 202.14754858 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

No literature data available for this compound.

Patent stripe

patents stripe