CID 75191

N,n-dipropylaniline

Structural Information

Molecular Formula
C12H19N
SMILES
CCCN(CCC)C1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-3-10-13(11-4-2)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
MMFBQHXDINNBMW-UHFFFAOYSA-N
Compound name
N,N-dipropylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2984
Patents

177.15175 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 141.9
[M+Na]+ 200.140968 147.3
[M-H]- 176.144474 146.3
[M+NH4]+ 195.185573 162.5
[M+K]+ 216.114908 146.1
[M+H-H2O]+ 160.149010 135.3
[M+HCOO]- 222.149951 167.0
[M+CH3COO]- 236.165601 188.9
[M+Na-2H]- 198.126416 148.1
[M]+ 177.15120142 143.4
[M]- 177.15229858 143.4
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