CID 182768

3-(hydroxymethyl)benzamide

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1=CC(=CC(=C1)C(=O)N)CO
InChI
InChI=1S/C8H9NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4,10H,5H2,(H2,9,11)
InChIKey
ZUBCCQNBZLMGQS-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

151.06332 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.6
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 131.8
[M+NH4]+ 169.097143 149.6
[M+K]+ 190.026478 135.0
[M+H-H2O]+ 134.060580 124.2
[M+HCOO]- 196.061521 153.1
[M+CH3COO]- 210.077171 175.0
[M+Na-2H]- 172.037986 135.1
[M]+ 151.06277142 127.4
[M]- 151.06386858 127.4
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

patents stripe