CID 76362

N-dodecylaniline

Structural Information

Molecular Formula
C18H31N
SMILES
CCCCCCCCCCCCNC1=CC=CC=C1
InChI
InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-14-17-19-18-15-12-11-13-16-18/h11-13,15-16,19H,2-10,14,17H2,1H3
InChIKey
LQKYCMRSWKQVBQ-UHFFFAOYSA-N
Compound name
N-dodecylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1866
Patents

261.24564 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.25292 169.3
[M+Na]+ 284.23486 180.2
[M+NH4]+ 279.27946 177.6
[M+K]+ 300.20880 170.3
[M-H]- 260.23836 172.7
[M+Na-2H]- 282.22031 175.4
[M]+ 261.24509 171.8
[M]- 261.24619 171.8
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