CID 82096927

2-(2,2-dimethyl-3,4-dihydro-2h-1,4-benzoxazin-4-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1(CN(C2=CC=CC=C2O1)CCN)C
InChI
InChI=1S/C12H18N2O/c1-12(2)9-14(8-7-13)10-5-3-4-6-11(10)15-12/h3-6H,7-9,13H2,1-2H3
InChIKey
XVMAOVDQLWBJGG-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.1
[M+Na]+ 229.13112 154.8
[M-H]- 205.13462 150.3
[M+NH4]+ 224.17572 166.4
[M+K]+ 245.10506 153.0
[M+H-H2O]+ 189.13916 140.4
[M+HCOO]- 251.14010 166.1
[M+CH3COO]- 265.15575 189.1
[M+Na-2H]- 227.11657 154.7
[M]+ 206.14135 146.0
[M]- 206.14245 146.0
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.