CID 31525

Brn 0975238

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1(C2=CC=CC=C2N=C(O1)N)C
InChI
InChI=1S/C10H12N2O/c1-10(2)7-5-3-4-6-8(7)12-9(11)13-10/h3-6H,1-2H3,(H2,11,12)
InChIKey
RXAVXDBLOBNIFT-UHFFFAOYSA-N
Compound name
4,4-dimethyl-3,1-benzoxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.4
[M+Na]+ 199.08418 146.1
[M-H]- 175.08768 140.4
[M+NH4]+ 194.12878 157.0
[M+K]+ 215.05812 144.5
[M+H-H2O]+ 159.09222 130.1
[M+HCOO]- 221.09316 157.6
[M+CH3COO]- 235.10881 150.2
[M+Na-2H]- 197.06963 146.1
[M]+ 176.09441 136.0
[M]- 176.09551 136.0
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.