CID 263186

N-(3-methylbut-2-en-1-yl)aniline

Structural Information

Molecular Formula
C11H15N
SMILES
CC(=CCNC1=CC=CC=C1)C
InChI
InChI=1S/C11H15N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3
InChIKey
KTOUJJBMKPFUNA-UHFFFAOYSA-N
Compound name
N-(3-methylbut-2-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

161.12045 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 136.6
[M+Na]+ 184.10967 142.4
[M-H]- 160.11317 139.9
[M+NH4]+ 179.15427 157.1
[M+K]+ 200.08361 139.9
[M+H-H2O]+ 144.11771 130.6
[M+HCOO]- 206.11865 160.8
[M+CH3COO]- 220.13430 181.5
[M+Na-2H]- 182.09512 142.8
[M]+ 161.11990 135.1
[M]- 161.12100 135.1
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