CID 21880609

34231-22-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
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 127.2
[M+Na]+ 160.07328 134.7
[M-H]- 136.07678 129.3
[M+NH4]+ 155.11788 148.0
[M+K]+ 176.04722 132.2
[M+H-H2O]+ 120.08132 121.9
[M+HCOO]- 182.08226 151.3
[M+CH3COO]- 196.09791 172.9
[M+Na-2H]- 158.05873 134.0
[M]+ 137.08351 124.9
[M]- 137.08461 124.9
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