CID 16793964

[2-(cyclopentyloxy)phenyl]methanamine

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CCC(C1)OC2=CC=CC=C2CN
InChI
InChI=1S/C12H17NO/c13-9-10-5-1-4-8-12(10)14-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9,13H2
InChIKey
NYCBHEMCYMXECF-UHFFFAOYSA-N
Compound name
(2-cyclopentyloxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

191.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.7
[M+Na]+ 214.12023 148.1
[M-H]- 190.12373 148.4
[M+NH4]+ 209.16483 163.3
[M+K]+ 230.09417 145.3
[M+H-H2O]+ 174.12827 136.0
[M+HCOO]- 236.12921 166.3
[M+CH3COO]- 250.14486 183.9
[M+Na-2H]- 212.10568 146.1
[M]+ 191.13046 139.1
[M]- 191.13156 139.1
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

patents stripe