CID 61257861

1250546-74-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 145.9
[M+Na]+ 234.06561 153.4
[M-H]- 210.06911 150.6
[M+NH4]+ 229.11021 165.7
[M+K]+ 250.03955 149.3
[M+H-H2O]+ 194.07365 138.9
[M+HCOO]- 256.07459 163.4
[M+CH3COO]- 270.09024 183.2
[M+Na-2H]- 232.05106 149.6
[M]+ 211.07584 146.0
[M]- 211.07694 146.0
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.