CID 10103327

3-(aminomethyl)benzamide

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1=CC(=CC(=C1)C(=O)N)CN
InChI
InChI=1S/C8H10N2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H2,10,11)
InChIKey
HYHLWVJLJXARGY-UHFFFAOYSA-N
Compound name
3-(aminomethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

395
Patents

150.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 130.5
[M+Na]+ 173.068538 137.5
[M-H]- 149.072044 133.5
[M+NH4]+ 168.113143 150.6
[M+K]+ 189.042478 135.5
[M+H-H2O]+ 133.076580 124.5
[M+HCOO]- 195.077521 155.6
[M+CH3COO]- 209.093171 179.9
[M+Na-2H]- 171.053986 135.6
[M]+ 150.07877142 126.9
[M]- 150.07986858 126.9
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