CID 82386717

1205748-73-7

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(CC1)CCN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-4-5-11(6-8-14)7-10-15/h11H,4-10,14H2,1-3H3
InChIKey
KIWAXOBIGFPKSJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

242.19943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 154.9
[M+Na]+ 265.18865 156.5
[M-H]- 241.19215 156.7
[M+NH4]+ 260.23325 169.6
[M+K]+ 281.16259 160.3
[M+H-H2O]+ 225.19669 148.1
[M+HCOO]- 287.19763 170.5
[M+CH3COO]- 301.21328 195.9
[M+Na-2H]- 263.17410 156.3
[M]+ 242.19888 149.0
[M]- 242.19998 149.0
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