CID 5288103

N-methyl-n-[(1r)-1-methyl-2-phenylethyl]prop-2-en-1-amine

Structural Information

Molecular Formula
C13H19N
SMILES
C[C@H](CC1=CC=CC=C1)N(C)CC=C
InChI
InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1
InChIKey
BVYBGDRWIWQPOV-GFCCVEGCSA-N
Compound name
(2R)-N-methyl-1-phenyl-N-prop-2-enylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.6
[M+Na]+ 212.140968 150.7
[M-H]- 188.144474 150.0
[M+NH4]+ 207.185573 165.5
[M+K]+ 228.114908 149.0
[M+H-H2O]+ 172.149010 138.9
[M+HCOO]- 234.149951 169.6
[M+CH3COO]- 248.165601 191.8
[M+Na-2H]- 210.126416 150.0
[M]+ 189.15120142 146.2
[M]- 189.15229858 146.2
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