CID 15442601

2,5-bis(propan-2-yl)aniline

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)C1=CC(=C(C=C1)C(C)C)N
InChI
InChI=1S/C12H19N/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,13H2,1-4H3
InChIKey
NBIUVZLUCMDFPH-UHFFFAOYSA-N
Compound name
2,5-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

177.15175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.2
[M+Na]+ 200.140968 148.9
[M-H]- 176.144474 145.6
[M+NH4]+ 195.185573 162.3
[M+K]+ 216.114908 146.9
[M+H-H2O]+ 160.149010 136.5
[M+HCOO]- 222.149951 164.1
[M+CH3COO]- 236.165601 188.6
[M+Na-2H]- 198.126416 144.1
[M]+ 177.15120142 140.9
[M]- 177.15229858 140.9
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