CID 63558207

2-methyl-4-(oxolan-3-yloxy)aniline hydrochloride

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=C(C=CC(=C1)OC2CCOC2)N
InChI
InChI=1S/C11H15NO2/c1-8-6-9(2-3-11(8)12)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7,12H2,1H3
InChIKey
IOBCUOVIEIJJOL-UHFFFAOYSA-N
Compound name
2-methyl-4-(oxolan-3-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

193.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.5
[M+Na]+ 216.09950 148.3
[M-H]- 192.10300 148.4
[M+NH4]+ 211.14410 161.0
[M+K]+ 232.07344 147.2
[M+H-H2O]+ 176.10754 135.2
[M+HCOO]- 238.10848 164.7
[M+CH3COO]- 252.12413 184.1
[M+Na-2H]- 214.08495 145.6
[M]+ 193.10973 140.0
[M]- 193.11083 140.0
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

patents stripe