CID 4717876

[(4-methylphenyl)methyl](prop-2-en-1-yl)amine

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC=C(C=C1)CNCC=C
InChI
InChI=1S/C11H15N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h3-7,12H,1,8-9H2,2H3
InChIKey
PRUULPKRGUFODM-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 135.3
[M+Na]+ 184.10967 142.3
[M-H]- 160.11317 138.8
[M+NH4]+ 179.15427 156.1
[M+K]+ 200.08361 139.2
[M+H-H2O]+ 144.11771 129.4
[M+HCOO]- 206.11865 160.4
[M+CH3COO]- 220.13430 182.5
[M+Na-2H]- 182.09512 142.1
[M]+ 161.11990 134.9
[M]- 161.12100 134.9
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