CID 47002389

1305711-56-1

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1N
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9(10)13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10-/m1/s1
InChIKey
LXUOCDHGKNYESJ-NXEZZACHSA-N
Compound name
tert-butyl N-[(1R,2R)-2-aminocycloheptyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

228.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 150.9
[M+Na]+ 251.17300 152.0
[M-H]- 227.17650 154.2
[M+NH4]+ 246.21760 167.0
[M+K]+ 267.14694 156.3
[M+H-H2O]+ 211.18104 145.1
[M+HCOO]- 273.18198 169.0
[M+CH3COO]- 287.19763 195.3
[M+Na-2H]- 249.15845 152.9
[M]+ 228.18323 143.4
[M]- 228.18433 143.4
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