CID 16641707

927993-53-1

Structural Information

Molecular Formula
C13H19NO
SMILES
COC1=CC=CC=C1C2(CCCC2)CN
InChI
InChI=1S/C13H19NO/c1-15-12-7-3-2-6-11(12)13(10-14)8-4-5-9-13/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKey
SDHQESURORPKBB-UHFFFAOYSA-N
Compound name
[1-(2-methoxyphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 147.2
[M+Na]+ 228.135888 153.2
[M-H]- 204.139394 153.1
[M+NH4]+ 223.180493 169.2
[M+K]+ 244.109828 150.3
[M+H-H2O]+ 188.143930 141.0
[M+HCOO]- 250.144871 170.5
[M+CH3COO]- 264.160521 186.5
[M+Na-2H]- 226.121336 151.1
[M]+ 205.14612142 144.2
[M]- 205.14721858 144.2
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.