CID 118619604

1624301-71-8

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(CO)CO
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(16)13-6-4-5-12(7-13,8-14)9-15/h14-15H,4-9H2,1-3H3
InChIKey
YWLDGGUVWJNQSH-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

245.1627 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.8
[M+Na]+ 268.15192 163.4
[M-H]- 244.15542 157.6
[M+NH4]+ 263.19652 175.7
[M+K]+ 284.12586 162.5
[M+H-H2O]+ 228.15996 154.0
[M+HCOO]- 290.16090 172.3
[M+CH3COO]- 304.17655 186.3
[M+Na-2H]- 266.13737 162.0
[M]+ 245.16215 156.9
[M]- 245.16325 156.9
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