CID 4574248

4-(3-aminopropyl)phenol hydrobromide

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC(=CC=C1CCCN)O
InChI
InChI=1S/C9H13NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7,10H2
InChIKey
AEMHLIHHQUOOGP-UHFFFAOYSA-N
Compound name
4-(3-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

151.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.8
[M+Na]+ 174.08894 138.9
[M-H]- 150.09244 133.7
[M+NH4]+ 169.13354 152.0
[M+K]+ 190.06288 136.2
[M+H-H2O]+ 134.09698 126.3
[M+HCOO]- 196.09792 155.5
[M+CH3COO]- 210.11357 176.0
[M+Na-2H]- 172.07439 138.1
[M]+ 151.09917 129.9
[M]- 151.10027 129.9
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