CID 83694759

Schembl15942202

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC(=C(C(=C1)O)Cl)CN
InChI
InChI=1S/C7H8ClNO/c8-7-5(4-9)2-1-3-6(7)10/h1-3,10H,4,9H2
InChIKey
SVZBNCFOWXZPOD-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-2-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.02943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 128.7
[M+Na]+ 180.01865 138.4
[M-H]- 156.02215 131.1
[M+NH4]+ 175.06325 149.8
[M+K]+ 195.99259 134.1
[M+H-H2O]+ 140.02669 124.7
[M+HCOO]- 202.02763 148.5
[M+CH3COO]- 216.04328 174.9
[M+Na-2H]- 178.00410 134.8
[M]+ 157.02888 128.4
[M]- 157.02998 128.4
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

No patent data available for this compound.