CID 84021273

7-(aminomethyl)-2,3-dihydro-1,3-benzoxazol-2-one hydrochloride

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC(=C2C(=C1)NC(=O)O2)CN
InChI
InChI=1S/C8H8N2O2/c9-4-5-2-1-3-6-7(5)12-8(11)10-6/h1-3H,4,9H2,(H,10,11)
InChIKey
CIFQTRHVBZLDCU-UHFFFAOYSA-N
Compound name
7-(aminomethyl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 128.8
[M+Na]+ 187.04780 140.0
[M-H]- 163.05130 132.1
[M+NH4]+ 182.09240 149.0
[M+K]+ 203.02174 137.3
[M+H-H2O]+ 147.05584 123.1
[M+HCOO]- 209.05678 153.1
[M+CH3COO]- 223.07243 143.5
[M+Na-2H]- 185.03325 137.5
[M]+ 164.05803 129.9
[M]- 164.05913 129.9
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

No patent data available for this compound.