CID 177800636

[(2,1,3-benzoxadiazol-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C8H9N3O
SMILES
CNCC1=CC=CC2=NON=C21
InChI
InChI=1S/C8H9N3O/c1-9-5-6-3-2-4-7-8(6)11-12-10-7/h2-4,9H,5H2,1H3
InChIKey
YQXDGBOGVXKHMH-UHFFFAOYSA-N
Compound name
1-(2,1,3-benzoxadiazol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.081826 129.8
[M+Na]+ 186.063768 140.4
[M-H]- 162.067274 133.1
[M+NH4]+ 181.108373 149.5
[M+K]+ 202.037708 138.9
[M+H-H2O]+ 146.071810 122.7
[M+HCOO]- 208.072751 154.6
[M+CH3COO]- 222.088401 144.5
[M+Na-2H]- 184.049216 140.6
[M]+ 163.07400142 133.2
[M]- 163.07509858 133.2
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.