CID 735894

3-(aminomethyl)phenol

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CC(=CC(=C1)O)CN
InChI
InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
InChIKey
JNZYADHPGVZMQK-UHFFFAOYSA-N
Compound name
3-(aminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1343
Patents

123.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.6
[M+Na]+ 146.05763 130.5
[M-H]- 122.06113 124.9
[M+NH4]+ 141.10223 143.9
[M+K]+ 162.03157 128.3
[M+H-H2O]+ 106.06567 117.5
[M+HCOO]- 168.06661 147.0
[M+CH3COO]- 182.08226 169.9
[M+Na-2H]- 144.04308 130.0
[M]+ 123.06786 119.9
[M]- 123.06896 119.9
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