CID 20109516

893751-15-0

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
C1CC(OC1)COC2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2
InChIKey
MTGVVZQHFZESMO-UHFFFAOYSA-N
Compound name
5-chloro-2-(oxolan-2-ylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 149.8
[M+Na]+ 250.06052 157.4
[M-H]- 226.06402 156.5
[M+NH4]+ 245.10512 168.8
[M+K]+ 266.03446 154.3
[M+H-H2O]+ 210.06856 144.1
[M+HCOO]- 272.06950 168.3
[M+CH3COO]- 286.08515 187.9
[M+Na-2H]- 248.04597 153.2
[M]+ 227.07075 150.3
[M]- 227.07185 150.3
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.