CID 4610235

18503-98-5

Structural Information

Molecular Formula
C11H15ClO
SMILES
CC(C)(CC1=CC=C(C=C1)OC)Cl
InChI
InChI=1S/C11H15ClO/c1-11(2,12)8-9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3
InChIKey
BVNVYYFNVOWYAT-UHFFFAOYSA-N
Compound name
1-(2-chloro-2-methylpropyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08115 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08843 142.0
[M+Na]+ 221.07037 150.8
[M-H]- 197.07387 145.8
[M+NH4]+ 216.11497 162.7
[M+K]+ 237.04431 147.3
[M+H-H2O]+ 181.07841 137.5
[M+HCOO]- 243.07935 160.0
[M+CH3COO]- 257.09500 184.8
[M+Na-2H]- 219.05582 148.7
[M]+ 198.08060 146.0
[M]- 198.08170 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.