CID 105222

65859-40-7

Structural Information

Molecular Formula
C18H31N
SMILES
CC(C)(C)CCCCCCCCC1=CC=C(C=C1)N
InChI
InChI=1S/C18H31N/c1-18(2,3)15-9-7-5-4-6-8-10-16-11-13-17(19)14-12-16/h11-14H,4-10,15,19H2,1-3H3
InChIKey
MZTAXVOESXUJBI-UHFFFAOYSA-N
Compound name
4-(9,9-dimethyldecyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

261.24564 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.252916 169.8
[M+Na]+ 284.234858 174.1
[M-H]- 260.238364 171.8
[M+NH4]+ 279.279463 186.6
[M+K]+ 300.208798 169.9
[M+H-H2O]+ 244.242900 163.1
[M+HCOO]- 306.243841 190.2
[M+CH3COO]- 320.259491 203.6
[M+Na-2H]- 282.220306 172.3
[M]+ 261.24509142 171.1
[M]- 261.24618858 171.1
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

No patent data available for this compound.