CID 71304009

1356476-27-1

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)CO
InChI
InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-6-4-14(5-7-15)8-11(9-14)10-16/h11,16H,4-10H2,1-3H3
InChIKey
ZKXCMDBKBXJMBK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

255.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 162.0
[M+Na]+ 278.17266 165.0
[M-H]- 254.17616 163.9
[M+NH4]+ 273.21726 172.9
[M+K]+ 294.14660 166.6
[M+H-H2O]+ 238.18070 151.5
[M+HCOO]- 300.18164 174.3
[M+CH3COO]- 314.19729 194.3
[M+Na-2H]- 276.15811 164.4
[M]+ 255.18289 167.6
[M]- 255.18399 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe