CID 3061291

Brn 4475470

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)C(=O)NNC1=NC2=CC=CC=C2OC1
InChI
InChI=1S/C12H15N3O2/c1-8(2)12(16)15-14-11-7-17-10-6-4-3-5-9(10)13-11/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
MQMHUNANZLGZHZ-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzoxazin-3-yl)-2-methylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 152.7
[M+Na]+ 256.105638 158.5
[M-H]- 232.109144 156.3
[M+NH4]+ 251.150243 168.3
[M+K]+ 272.079578 157.4
[M+H-H2O]+ 216.113680 144.9
[M+HCOO]- 278.114621 173.3
[M+CH3COO]- 292.130271 194.9
[M+Na-2H]- 254.091086 160.1
[M]+ 233.11587142 151.8
[M]- 233.11696858 151.8
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.