CID 102551

3-(2-aminopropyl)phenol

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(CC1=CC(=CC=C1)O)N
InChI
InChI=1S/C9H13NO/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5,10H2,1H3
InChIKey
WTDGMHYYGNJEKQ-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

1133
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 132.5
[M+Na]+ 174.08894 139.3
[M-H]- 150.09244 134.5
[M+NH4]+ 169.13354 152.6
[M+K]+ 190.06288 137.1
[M+H-H2O]+ 134.09698 127.0
[M+HCOO]- 196.09792 155.2
[M+CH3COO]- 210.11357 176.9
[M+Na-2H]- 172.07439 137.4
[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