CID 138991014

2309474-99-3

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC2CC1CC2N

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-6-7-4-8(10)5-9(7)13/h7-10H,4-6,13H2,1-3H3,(H,14,15)

InChIKey

RFIXMSWESLSEBY-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-2-bicyclo[2.2.1]heptanyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.16812 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.175396	155.4
[M+Na]+	249.157338	160.4
[M-H]-	225.160844	157.6
[M+NH4]+	244.201943	178.2
[M+K]+	265.131278	159.0
[M+H-H2O]+	209.165380	151.2
[M+HCOO]-	271.166321	175.0
[M+CH3COO]-	285.181971	194.4
[M+Na-2H]-	247.142786	157.0
[M]+	226.16757142	153.3
[M]-	226.16866858	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe