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
2
Annotation Hits

2
References

2149
Patents

261.24564 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 168.9
[M+Na]+ 284.234858 171.5
[M-H]- 260.238364 170.5
[M+NH4]+ 279.279463 185.3
[M+K]+ 300.208798 167.3
[M+H-H2O]+ 244.242900 161.1
[M+HCOO]- 306.243841 191.4
[M+CH3COO]- 320.259491 203.5
[M+Na-2H]- 282.220306 172.5
[M]+ 261.24509142 171.3
[M]- 261.24618858 171.3
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