CID 36382

4-hexylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
InChIKey
OVEMTTZEBOCJDV-UHFFFAOYSA-N
Compound name
4-hexylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1003
Patents

177.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 141.9
[M+Na]+ 200.14097 148.1
[M-H]- 176.14447 144.6
[M+NH4]+ 195.18557 161.8
[M+K]+ 216.11491 145.1
[M+H-H2O]+ 160.14901 135.7
[M+HCOO]- 222.14995 165.8
[M+CH3COO]- 236.16560 185.7
[M+Na-2H]- 198.12642 147.0
[M]+ 177.15120 141.5
[M]- 177.15230 141.5
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