CID 4717987

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

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC=C(C=C1)CNCC=C
InChI
InChI=1S/C11H15NO/c1-3-8-12-9-10-4-6-11(13-2)7-5-10/h3-7,12H,1,8-9H2,2H3
InChIKey
RWUUVIFIVMIGJA-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

177.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.6
[M+Na]+ 200.10459 145.6
[M-H]- 176.10809 142.2
[M+NH4]+ 195.14919 158.7
[M+K]+ 216.07853 143.0
[M+H-H2O]+ 160.11263 132.5
[M+HCOO]- 222.11357 164.0
[M+CH3COO]- 236.12922 184.5
[M+Na-2H]- 198.09004 145.4
[M]+ 177.11482 139.7
[M]- 177.11592 139.7
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