CID 58992601

Tert-butyl 3-(aminomethyl)azepane-1-carboxylate

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCCCC(C1)CN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-7-5-4-6-10(8-13)9-14/h10H,4-9,13H2,1-3H3
InChIKey
QTTMMHODJVCZPK-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 153.3
[M+Na]+ 251.17300 159.1
[M+NH4]+ 246.21760 158.8
[M+K]+ 267.14694 156.8
[M-H]- 227.17650 152.8
[M+Na-2H]- 249.15845 155.6
[M]+ 228.18323 153.6
[M]- 228.18433 153.6
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