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

4
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 155.4
[M+Na]+ 249.15734 160.4
[M-H]- 225.16084 157.6
[M+NH4]+ 244.20194 178.2
[M+K]+ 265.13128 159.0
[M+H-H2O]+ 209.16538 151.2
[M+HCOO]- 271.16632 175.0
[M+CH3COO]- 285.18197 194.4
[M+Na-2H]- 247.14279 157.0
[M]+ 226.16757 153.3
[M]- 226.16867 153.3
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

patents stripe