CID 16788130

953732-30-4

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCC(C1)OCC2=CC=CC(=C2)CN
InChI
InChI=1S/C13H19NO/c14-9-11-4-3-5-12(8-11)10-15-13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,9-10,14H2
InChIKey
BIFXUMFESRNNRN-UHFFFAOYSA-N
Compound name
[3-(cyclopentyloxymethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.3
[M+Na]+ 228.13589 152.2
[M-H]- 204.13939 152.8
[M+NH4]+ 223.18049 167.3
[M+K]+ 244.10983 149.2
[M+H-H2O]+ 188.14393 140.3
[M+HCOO]- 250.14487 170.6
[M+CH3COO]- 264.16052 187.0
[M+Na-2H]- 226.12134 150.1
[M]+ 205.14612 144.0
[M]- 205.14722 144.0
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

No patent data available for this compound.