CID 871518

N-(1,3-dioxaindan-5-ylmethyl)cyclopentanamine

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCC(C1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C13H17NO2/c1-2-4-11(3-1)14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKey
LOYZMUZNAPZSOX-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 147.4
[M+Na]+ 242.115148 152.8
[M-H]- 218.118654 155.6
[M+NH4]+ 237.159753 167.1
[M+K]+ 258.089088 152.2
[M+H-H2O]+ 202.123190 141.9
[M+HCOO]- 264.124131 168.8
[M+CH3COO]- 278.139781 160.3
[M+Na-2H]- 240.100596 152.2
[M]+ 219.12538142 146.1
[M]- 219.12647858 146.1
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

No patent data available for this compound.