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

16
Patents

149.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 125.5
[M+Na]+ 172.048128 136.5
[M-H]- 148.051634 128.4
[M+NH4]+ 167.092733 145.5
[M+K]+ 188.022068 135.0
[M+H-H2O]+ 132.056170 118.6
[M+HCOO]- 194.057111 150.0
[M+CH3COO]- 208.072761 140.4
[M+Na-2H]- 170.033576 135.8
[M]+ 149.05836142 127.5
[M]- 149.05945858 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