CID 53396509

1281872-56-7

Structural Information

Molecular Formula
C16H30N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)CN)CC1
InChI
InChI=1S/C16H30N2O2/c1-15(2,3)20-14(19)18-10-8-16(9-11-18)6-4-13(12-17)5-7-16/h13H,4-12,17H2,1-3H3
InChIKey
NSZCNVGJAYJIFY-UHFFFAOYSA-N
Compound name
tert-butyl 9-(aminomethyl)-3-azaspiro[5.5]undecane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.23074 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.23802 171.7
[M+Na]+ 305.21996 173.6
[M-H]- 281.22346 173.6
[M+NH4]+ 300.26456 187.8
[M+K]+ 321.19390 171.7
[M+H-H2O]+ 265.22800 164.7
[M+HCOO]- 327.22894 183.8
[M+CH3COO]- 341.24459 200.7
[M+Na-2H]- 303.20541 172.9
[M]+ 282.23019 164.0
[M]- 282.23129 164.0
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