CID 7408

1-phenylethanamine

Structural Information

Molecular Formula
C8H11N
SMILES
CC(C1=CC=CC=C1)N
InChI
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
InChIKey
RQEUFEKYXDPUSK-UHFFFAOYSA-N
Compound name
1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

215
References

61278
Patents

121.08915 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 124.3
[M+Na]+ 144.07837 131.0
[M-H]- 120.08187 127.5
[M+NH4]+ 139.12297 146.1
[M+K]+ 160.05231 129.5
[M+H-H2O]+ 104.08641 118.8
[M+HCOO]- 166.08735 148.6
[M+CH3COO]- 180.10300 173.3
[M+Na-2H]- 142.06382 131.1
[M]+ 121.08860 121.4
[M]- 121.08970 121.4
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