CID 4094180

N1,n4-dibutyl-1,4-benzenediamine

Structural Information

Molecular Formula
C14H24N2
SMILES
CCCCNC1=CC=C(C=C1)NCCCC
InChI
InChI=1S/C14H24N2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10,15-16H,3-6,11-12H2,1-2H3
InChIKey
XWHKJSDRWVTJCH-UHFFFAOYSA-N
Compound name
1-N,4-N-dibutylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

566
Patents

220.19395 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 154.2
[M+Na]+ 243.18317 158.6
[M-H]- 219.18667 157.0
[M+NH4]+ 238.22777 172.2
[M+K]+ 259.15711 155.4
[M+H-H2O]+ 203.19121 147.0
[M+HCOO]- 265.19215 179.1
[M+CH3COO]- 279.20780 197.4
[M+Na-2H]- 241.16862 159.6
[M]+ 220.19340 154.8
[M]- 220.19450 154.8
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