CID 12671358

[4-(2-aminoethyl)phenyl]methanol

Structural Information

Molecular Formula
C9H13NO
SMILES
C1=CC(=CC=C1CCN)CO
InChI
InChI=1S/C9H13NO/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4,11H,5-7,10H2
InChIKey
MRJUPJKYBZVMCR-UHFFFAOYSA-N
Compound name
[4-(2-aminoethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

151.09972 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

patents stripe