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

455
Patents

137.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.2
[M+Na]+ 160.073278 134.7
[M-H]- 136.076784 129.3
[M+NH4]+ 155.117883 148.0
[M+K]+ 176.047218 132.2
[M+H-H2O]+ 120.081320 121.9
[M+HCOO]- 182.082261 151.3
[M+CH3COO]- 196.097911 172.9
[M+Na-2H]- 158.058726 134.0
[M]+ 137.08351142 124.9
[M]- 137.08460858 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