CID 1001

Phenethylamine

Structural Information

Molecular Formula
C8H11N
SMILES
C1=CC=C(C=C1)CCN
InChI
InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Compound name
2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1250
References

78385
Patents

121.08915 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.09643 123.6
[M+Na]+ 144.07837 130.6
[M-H]- 120.08187 126.7
[M+NH4]+ 139.12297 145.5
[M+K]+ 160.05231 128.6
[M+H-H2O]+ 104.08641 118.0
[M+HCOO]- 166.08735 148.9
[M+CH3COO]- 180.10300 172.4
[M+Na-2H]- 142.06382 131.7
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.