CID 253225

N-(2-methylprop-2-enyl)aniline

Structural Information

Molecular Formula
C10H13N
SMILES
CC(=C)CNC1=CC=CC=C1
InChI
InChI=1S/C10H13N/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,11H,1,8H2,2H3
InChIKey
JCBGGIHYIHYKEX-UHFFFAOYSA-N
Compound name
N-(2-methylprop-2-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

147.1048 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 132.7
[M+Na]+ 170.09402 144.9
[M+NH4]+ 165.13862 141.9
[M+K]+ 186.06796 137.7
[M-H]- 146.09752 135.9
[M+Na-2H]- 168.07947 140.5
[M]+ 147.10425 135.3
[M]- 147.10535 135.3
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