CID 541960

2-(2-aminopropyl)phenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(CC1=CC=CC=C1O)N
InChI
InChI=1S/C9H13NO/c1-7(10)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6,10H2,1H3
InChIKey
BCYNCBWCTHFJIU-UHFFFAOYSA-N
Compound name
2-(2-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

137
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.1
[M+Na]+ 174.08894 143.6
[M+NH4]+ 169.13354 140.7
[M+K]+ 190.06288 137.9
[M-H]- 150.09244 134.5
[M+Na-2H]- 172.07439 138.5
[M]+ 151.09917 134.3
[M]- 151.10027 134.3
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