CID 55285815

2377032-25-0

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC2=NON=C2C(=C1)CN
InChI
InChI=1S/C7H7N3O/c8-4-5-2-1-3-6-7(5)10-11-9-6/h1-3H,4,8H2
InChIKey
NYGJSNSHXJNZPH-UHFFFAOYSA-N
Compound name
2,1,3-benzoxadiazol-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

149.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 125.5
[M+Na]+ 172.04813 136.5
[M-H]- 148.05163 128.4
[M+NH4]+ 167.09273 145.5
[M+K]+ 188.02207 135.0
[M+H-H2O]+ 132.05617 118.6
[M+HCOO]- 194.05711 150.0
[M+CH3COO]- 208.07276 140.4
[M+Na-2H]- 170.03358 135.8
[M]+ 149.05836 127.5
[M]- 149.05946 127.5
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