CID 63557528

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

193.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 141.5
[M+Na]+ 216.099498 148.3
[M-H]- 192.103004 148.4
[M+NH4]+ 211.144103 161.0
[M+K]+ 232.073438 147.2
[M+H-H2O]+ 176.107540 135.2
[M+HCOO]- 238.108481 164.7
[M+CH3COO]- 252.124131 184.1
[M+Na-2H]- 214.084946 145.6
[M]+ 193.10973142 140.0
[M]- 193.11082858 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