CID 203500

3-amino-3-phenyl-1-propanol

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC=C(C=C1)C(CCO)N
InChI
InChI=1S/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
InChIKey
SEQXIQNPMQTBGN-UHFFFAOYSA-N
Compound name
3-amino-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

905
Patents

151.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.8
[M+Na]+ 174.088938 138.6
[M-H]- 150.092444 134.3
[M+NH4]+ 169.133543 152.6
[M+K]+ 190.062878 136.3
[M+H-H2O]+ 134.096980 127.0
[M+HCOO]- 196.097921 155.4
[M+CH3COO]- 210.113571 175.7
[M+Na-2H]- 172.074386 138.4
[M]+ 151.09917142 129.8
[M]- 151.10026858 129.8
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