CID 25324817

1049607-15-9

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC12CCCC(C1)(C2)N
InChI
InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-12-6-4-5-11(13,7-12)8-12/h4-8,13H2,1-3H3,(H,14,15)
InChIKey
CXZHLLYWULEMRB-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-1-bicyclo[3.1.1]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 171.1
[M+Na]+ 249.15734 173.6
[M-H]- 225.16084 168.9
[M+NH4]+ 244.20194 189.6
[M+K]+ 265.13128 175.5
[M+H-H2O]+ 209.16538 162.7
[M+HCOO]- 271.16632 182.3
[M+CH3COO]- 285.18197 199.2
[M+Na-2H]- 247.14279 180.4
[M]+ 226.16757 180.3
[M]- 226.16867 180.3
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.