CID 15442601

91552-65-7

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

136
Patents

177.15175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.2
[M+Na]+ 200.14097 148.9
[M-H]- 176.14447 145.6
[M+NH4]+ 195.18557 162.3
[M+K]+ 216.11491 146.9
[M+H-H2O]+ 160.14901 136.5
[M+HCOO]- 222.14995 164.1
[M+CH3COO]- 236.16560 188.6
[M+Na-2H]- 198.12642 144.1
[M]+ 177.15120 140.9
[M]- 177.15230 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