CID 170916446

Tert-butyl n-[2-(aminomethyl)-3,4-dihydro-2h-1-benzopyran-6-yl]carbamate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OC(CC2)CN
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-11-5-7-13-10(8-11)4-6-12(9-16)19-13/h5,7-8,12H,4,6,9,16H2,1-3H3,(H,17,18)
InChIKey
LORDTIGZPPRYGE-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(aminomethyl)-3,4-dihydro-2H-chromen-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 166.1
[M+Na]+ 301.152278 170.9
[M-H]- 277.155784 170.1
[M+NH4]+ 296.196883 181.3
[M+K]+ 317.126218 170.0
[M+H-H2O]+ 261.160320 159.3
[M+HCOO]- 323.161261 184.3
[M+CH3COO]- 337.176911 204.1
[M+Na-2H]- 299.137726 171.3
[M]+ 278.16251142 165.3
[M]- 278.16360858 165.3
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.