CID 16790924

4-[(cyclopentyloxy)methyl]aniline

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CCC(C1)OCC2=CC=C(C=C2)N
InChI
InChI=1S/C12H17NO/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12H,1-4,9,13H2
InChIKey
PJOKBXNWJFKWSX-UHFFFAOYSA-N
Compound name
4-(cyclopentyloxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.