CID 93162

4-pentylaniline

Structural Information

Molecular Formula
C11H17N
SMILES
CCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
InChIKey
DGFTWBUZRHAHTH-UHFFFAOYSA-N
Compound name
4-pentylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

952
Patents

163.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.2
[M+Na]+ 186.12532 143.9
[M-H]- 162.12882 140.2
[M+NH4]+ 181.16992 157.8
[M+K]+ 202.09926 141.1
[M+H-H2O]+ 146.13336 131.3
[M+HCOO]- 208.13430 161.6
[M+CH3COO]- 222.14995 182.7
[M+Na-2H]- 184.11077 143.0
[M]+ 163.13555 136.5
[M]- 163.13665 136.5
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