CID 521150

N-allylbenzylamine

Structural Information

Molecular Formula
C10H13N
SMILES
C=CCNCC1=CC=CC=C1
InChI
InChI=1S/C10H13N/c1-2-8-11-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKey
RHUCQDQRNUUMKY-UHFFFAOYSA-N
Compound name
N-benzylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2129
Patents

147.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.11208 131.0
[M+Na]+ 170.09402 137.5
[M-H]- 146.09752 134.3
[M+NH4]+ 165.13862 152.0
[M+K]+ 186.06796 134.7
[M+H-H2O]+ 130.10206 125.1
[M+HCOO]- 192.10300 156.5
[M+CH3COO]- 206.11865 178.3
[M+Na-2H]- 168.07947 139.1
[M]+ 147.10425 129.9
[M]- 147.10535 129.9
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