CID 61329

N,n-diisopropylaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1969
Patents

177.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.5
[M+Na]+ 200.14097 147.4
[M-H]- 176.14447 147.1
[M+NH4]+ 195.18557 162.9
[M+K]+ 216.11491 147.1
[M+H-H2O]+ 160.14901 136.1
[M+HCOO]- 222.14995 165.6
[M+CH3COO]- 236.16560 190.6
[M+Na-2H]- 198.12642 146.1
[M]+ 177.15120 142.7
[M]- 177.15230 142.7
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