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]+ 220.13321 147.4
[M+Na]+ 242.11515 152.8
[M-H]- 218.11865 155.6
[M+NH4]+ 237.15975 167.1
[M+K]+ 258.08909 152.2
[M+H-H2O]+ 202.12319 141.9
[M+HCOO]- 264.12413 168.8
[M+CH3COO]- 278.13978 160.3
[M+Na-2H]- 240.10060 152.2
[M]+ 219.12538 146.1
[M]- 219.12648 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.