CID 16641254

3-(3-methylbutoxy)aniline

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)CCOC1=CC=CC(=C1)N
InChI
InChI=1S/C11H17NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,12H2,1-2H3
InChIKey
HIZQGOGXVNCCEG-UHFFFAOYSA-N
Compound name
3-(3-methylbutoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 141.2
[M+Na]+ 202.12023 147.6
[M-H]- 178.12373 144.3
[M+NH4]+ 197.16483 161.0
[M+K]+ 218.09417 145.8
[M+H-H2O]+ 162.12827 135.1
[M+HCOO]- 224.12921 164.8
[M+CH3COO]- 238.14486 185.5
[M+Na-2H]- 200.10568 145.6
[M]+ 179.13046 141.3
[M]- 179.13156 141.3
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

patents stripe