CID 6422476

1-(cyclopropylmethyl)-4-methoxybenzene

Structural Information

Molecular Formula
C11H14O
SMILES
COC1=CC=C(C=C1)CC2CC2
InChI
InChI=1S/C11H14O/c1-12-11-6-4-10(5-7-11)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3
InChIKey
SHLSJFDJYSSUIP-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

356
Patents

162.10446 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 132.8
[M+Na]+ 185.093678 142.2
[M-H]- 161.097184 140.6
[M+NH4]+ 180.138283 149.0
[M+K]+ 201.067618 139.8
[M+H-H2O]+ 145.101720 126.3
[M+HCOO]- 207.102661 157.6
[M+CH3COO]- 221.118311 182.5
[M+Na-2H]- 183.079126 140.0
[M]+ 162.10391142 136.3
[M]- 162.10500858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe