CID 7694

4-butylaniline

Structural Information

Molecular Formula
C10H15N
SMILES
CCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3
InChIKey
OGIQUQKNJJTLSZ-UHFFFAOYSA-N
Compound name
4-butylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3410
Patents

149.12045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.6
[M+Na]+ 172.10967 145.2
[M+NH4]+ 167.15427 142.1
[M+K]+ 188.08361 137.7
[M-H]- 148.11317 136.2
[M+Na-2H]- 170.09512 140.2
[M]+ 149.11990 135.4
[M]- 149.12100 135.4
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