CID 11398

2-phenylpropylamine

Structural Information

Molecular Formula
C9H13N
SMILES
CC(CN)C1=CC=CC=C1
InChI
InChI=1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey
AXORVIZLPOGIRG-UHFFFAOYSA-N
Compound name
2-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

3129
Patents

135.1048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 129.0
[M+Na]+ 158.09402 135.3
[M-H]- 134.09752 132.0
[M+NH4]+ 153.13862 150.2
[M+K]+ 174.06796 133.5
[M+H-H2O]+ 118.10206 123.3
[M+HCOO]- 180.10300 153.0
[M+CH3COO]- 194.11865 176.3
[M+Na-2H]- 156.07947 135.2
[M]+ 135.10425 126.5
[M]- 135.10535 126.5
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