CID 246778

N-allyl-n-methylaniline

Structural Information

Molecular Formula
C10H13N
SMILES
CN(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C10H13N/c1-3-9-11(2)10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKey
WJYIMFNLIJXFMX-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-enylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

147.1048 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 131.1
[M+Na]+ 170.09402 137.7
[M-H]- 146.09752 135.9
[M+NH4]+ 165.13862 152.8
[M+K]+ 186.06796 136.3
[M+H-H2O]+ 130.10206 125.0
[M+HCOO]- 192.10300 157.1
[M+CH3COO]- 206.11865 181.9
[M+Na-2H]- 168.07947 138.4
[M]+ 147.10425 131.2
[M]- 147.10535 131.2
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