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

18
Patents

242.19943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 154.9
[M+Na]+ 265.188648 156.5
[M-H]- 241.192154 156.7
[M+NH4]+ 260.233253 169.6
[M+K]+ 281.162588 160.3
[M+H-H2O]+ 225.196690 148.1
[M+HCOO]- 287.197631 170.5
[M+CH3COO]- 301.213281 195.9
[M+Na-2H]- 263.174096 156.3
[M]+ 242.19888142 149.0
[M]- 242.19997858 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