CID 155822811

2567501-96-4

Structural Information

Molecular Formula
C10H13N3O
SMILES
CC(CC1=CC2=NON=C2C=C1)NC
InChI
InChI=1S/C10H13N3O/c1-7(11-2)5-8-3-4-9-10(6-8)13-14-12-9/h3-4,6-7,11H,5H2,1-2H3
InChIKey
BQJMJKZIZSBANE-UHFFFAOYSA-N
Compound name
1-(2,1,3-benzoxadiazol-5-yl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.2
[M+Na]+ 214.09509 149.5
[M-H]- 190.09859 143.3
[M+NH4]+ 209.13969 158.7
[M+K]+ 230.06903 148.1
[M+H-H2O]+ 174.10313 132.8
[M+HCOO]- 236.10407 163.3
[M+CH3COO]- 250.11972 185.6
[M+Na-2H]- 212.08054 148.7
[M]+ 191.10532 143.6
[M]- 191.10642 143.6
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.