CID 165881967

Tert-butyl 6-(hydroxymethyl)-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CC2(C1)CCN2C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C13H23NO3/c1-11(2,3)17-10(16)14-6-5-13(14)7-12(4,8-13)9-15/h15H,5-9H2,1-4H3
InChIKey
OJPHMUPQSIVROF-UHFFFAOYSA-N
Compound name
tert-butyl 6-(hydroxymethyl)-6-methyl-1-azaspiro[3.3]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 157.3
[M+Na]+ 264.15702 160.9
[M-H]- 240.16052 160.2
[M+NH4]+ 259.20162 164.1
[M+K]+ 280.13096 165.3
[M+H-H2O]+ 224.16506 145.4
[M+HCOO]- 286.16600 170.0
[M+CH3COO]- 300.18165 200.9
[M+Na-2H]- 262.14247 160.8
[M]+ 241.16725 174.0
[M]- 241.16835 174.0
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

No patent data available for this compound.