CID 7701

4-dodecylaniline

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3
InChIKey
KLPPPIIIEMUEGP-UHFFFAOYSA-N
Compound name
4-dodecylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1962
Patents

261.24564 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 169.2
[M+Na]+ 284.23486 172.9
[M-H]- 260.23836 170.8
[M+NH4]+ 279.27946 185.7
[M+K]+ 300.20880 168.3
[M+H-H2O]+ 244.24290 161.8
[M+HCOO]- 306.24384 191.1
[M+CH3COO]- 320.25949 203.9
[M+Na-2H]- 282.22031 171.1
[M]+ 261.24509 171.0
[M]- 261.24619 171.0
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