CID 9930284

108780-97-8

Structural Information

Molecular Formula
C26H47NO
SMILES
CCCCN(CCCC)C1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCCC
InChI
InChI=1S/C26H47NO/c1-9-12-17-27(18-13-10-2)23-20-22(26(7,8)21-25(4,5)6)15-16-24(23)28-19-14-11-3/h15-16,20H,9-14,17-19,21H2,1-8H3
InChIKey
BJCIHMAOTRVTJI-UHFFFAOYSA-N
Compound name
2-butoxy-N,N-dibutyl-5-(2,4,4-trimethylpentan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2327
Patents

389.36575 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.37303 207.3
[M+Na]+ 412.35497 209.5
[M-H]- 388.35847 210.4
[M+NH4]+ 407.39957 220.1
[M+K]+ 428.32891 206.4
[M+H-H2O]+ 372.36301 199.5
[M+HCOO]- 434.36395 224.7
[M+CH3COO]- 448.37960 235.2
[M+Na-2H]- 410.34042 206.3
[M]+ 389.36520 215.1
[M]- 389.36630 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe