CID 71744119

Tert-butyl ((4-aminotetrahydro-2h-pyran-4-yl)methyl)carbamate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)NCC1(CCOCC1)N
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-8-11(12)4-6-15-7-5-11/h4-8,12H2,1-3H3,(H,13,14)
InChIKey
OKKXSYCQUVNYBS-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-aminooxan-4-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 154.4
[M+Na]+ 253.152258 157.7
[M-H]- 229.155764 157.1
[M+NH4]+ 248.196863 172.0
[M+K]+ 269.126198 158.7
[M+H-H2O]+ 213.160300 149.0
[M+HCOO]- 275.161241 172.7
[M+CH3COO]- 289.176891 191.8
[M+Na-2H]- 251.137706 160.1
[M]+ 230.16249142 151.5
[M]- 230.16358858 151.5
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

patents stripe