CID 170320464

Tert-butyl 6-(2-bromoethyl)-2-azaspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C13H22BrNO2
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)CCBr
InChI
InChI=1S/C13H22BrNO2/c1-12(2,3)17-11(16)15-8-13(9-15)6-10(7-13)4-5-14/h10H,4-9H2,1-3H3
InChIKey
WWLFJIAMVJPLPW-UHFFFAOYSA-N
Compound name
tert-butyl 6-(2-bromoethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.0834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.09068 147.8
[M+Na]+ 326.07262 154.4
[M-H]- 302.07612 153.8
[M+NH4]+ 321.11722 155.4
[M+K]+ 342.04656 150.7
[M+H-H2O]+ 286.08066 140.4
[M+HCOO]- 348.08160 160.5
[M+CH3COO]- 362.09725 209.5
[M+Na-2H]- 324.05807 153.0
[M]+ 303.08285 180.0
[M]- 303.08395 180.0
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