CID 222659

Aniline, n-isopentyl-

Structural Information

Molecular Formula
C11H17N
SMILES
CC(C)CCNC1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey
HXKYNBCJKDAHOJ-UHFFFAOYSA-N
Compound name
N-(3-methylbutyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

163.1361 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.9
[M+Na]+ 186.12532 149.9
[M+NH4]+ 181.16992 147.3
[M+K]+ 202.09926 142.5
[M-H]- 162.12882 141.4
[M+Na-2H]- 184.11077 145.6
[M]+ 163.13555 140.6
[M]- 163.13665 140.6
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