CID 3018437

N,n-dimethyl-p-vinylphenethylamine

Structural Information

Molecular Formula
C12H17N
SMILES
CN(C)CCC1=CC=C(C=C1)C=C
InChI
InChI=1S/C12H17N/c1-4-11-5-7-12(8-6-11)9-10-13(2)3/h4-8H,1,9-10H2,2-3H3
InChIKey
OHDSHGBRKMRPHC-UHFFFAOYSA-N
Compound name
2-(4-ethenylphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1798
Patents

175.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.8
[M+Na]+ 198.125318 146.5
[M-H]- 174.128824 144.7
[M+NH4]+ 193.169923 160.7
[M+K]+ 214.099258 144.7
[M+H-H2O]+ 158.133360 133.5
[M+HCOO]- 220.134301 165.2
[M+CH3COO]- 234.149951 189.1
[M+Na-2H]- 196.110766 145.4
[M]+ 175.13555142 141.0
[M]- 175.13664858 141.0
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