CID 6496943

39895-56-2

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC(=CC=C1CN)CO
InChI
InChI=1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
InChIKey
WMOUKOAUAFESMR-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

662
Patents

137.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.1
[M+Na]+ 160.07328 139.1
[M+NH4]+ 155.11788 136.0
[M+K]+ 176.04722 132.9
[M-H]- 136.07678 129.7
[M+Na-2H]- 158.05873 134.2
[M]+ 137.08351 129.4
[M]- 137.08461 129.4
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