CID 137963725

2228160-73-2

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC2=C1C=CC(=C2)CN
InChI
InChI=1S/C14H20N2O3/c1-14(2,3)19-13(17)16-6-7-18-12-8-10(9-15)4-5-11(12)16/h4-5,8H,6-7,9,15H2,1-3H3
InChIKey
SQKJGTJHQQGHHX-UHFFFAOYSA-N
Compound name
tert-butyl 7-(aminomethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 162.8
[M+Na]+ 287.13662 169.0
[M-H]- 263.14012 165.7
[M+NH4]+ 282.18122 177.6
[M+K]+ 303.11056 168.0
[M+H-H2O]+ 247.14466 155.7
[M+HCOO]- 309.14560 179.1
[M+CH3COO]- 323.16125 198.5
[M+Na-2H]- 285.12207 168.0
[M]+ 264.14685 162.8
[M]- 264.14795 162.8
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.