CID 163321543

2758001-24-8

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N1CC2(C1CO)CCC2
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-8-12(5-4-6-12)9(13)7-14/h9,14H,4-8H2,1-3H3
InChIKey
DQTVCXRJHJRBTN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)-2-azaspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 150.4
[M+Na]+ 250.14137 153.6
[M-H]- 226.14487 153.0
[M+NH4]+ 245.18597 155.8
[M+K]+ 266.11531 158.3
[M+H-H2O]+ 210.14941 136.9
[M+HCOO]- 272.15035 163.5
[M+CH3COO]- 286.16600 198.5
[M+Na-2H]- 248.12682 153.5
[M]+ 227.15160 166.5
[M]- 227.15270 166.5
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.