CID 18758283

3-(3-aminopropyl)phenol hydrochloride

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC(=CC(=C1)O)CCCN
InChI
InChI=1S/C9H13NO/c10-6-2-4-8-3-1-5-9(11)7-8/h1,3,5,7,11H,2,4,6,10H2
InChIKey
QLRBBFCAMQQYSG-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.7
[M+Na]+ 174.08894 143.5
[M+NH4]+ 169.13354 140.4
[M+K]+ 190.06288 137.0
[M-H]- 150.09244 134.2
[M+Na-2H]- 172.07439 138.4
[M]+ 151.09917 133.9
[M]- 151.10027 133.9
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

patents stripe