CID 17605549

5-chloro-2-(cyclopentyloxy)aniline

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1CCC(C1)OC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClNO/c12-8-5-6-11(10(13)7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2
InChIKey
HRWLBPIQTDNNBO-UHFFFAOYSA-N
Compound name
5-chloro-2-cyclopentyloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.3
[M+Na]+ 234.06561 153.9
[M-H]- 210.06911 152.3
[M+NH4]+ 229.11021 167.2
[M+K]+ 250.03955 149.4
[M+H-H2O]+ 194.07365 140.6
[M+HCOO]- 256.07459 165.6
[M+CH3COO]- 270.09024 185.8
[M+Na-2H]- 232.05106 148.8
[M]+ 211.07584 144.8
[M]- 211.07694 144.8
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.