CID 38360

4-(hexyloxy)aniline

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCCCCOC1=CC=C(C=C1)N
InChI
InChI=1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3
InChIKey
DJRKHTCUXRGYEU-UHFFFAOYSA-N
Compound name
4-hexoxyaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

914
Patents

193.14667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.2
[M+Na]+ 216.13589 151.4
[M-H]- 192.13939 147.9
[M+NH4]+ 211.18049 164.4
[M+K]+ 232.10983 148.8
[M+H-H2O]+ 176.14393 138.7
[M+HCOO]- 238.14487 169.4
[M+CH3COO]- 252.16052 187.7
[M+Na-2H]- 214.12134 150.3
[M]+ 193.14612 146.2
[M]- 193.14722 146.2
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