CID 23282843

1-boc-4-(hydroxymethyl)-4-methylpiperidine

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC1(CCN(CC1)C(=O)OC(C)(C)C)CO
InChI
InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-5-12(4,9-14)6-8-13/h14H,5-9H2,1-4H3
InChIKey
YFYSPIRFZKBBAU-UHFFFAOYSA-N
Compound name
tert-butyl 4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

229.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.1
[M+Na]+ 252.15702 160.2
[M-H]- 228.16052 155.4
[M+NH4]+ 247.20162 173.4
[M+K]+ 268.13096 159.6
[M+H-H2O]+ 212.16506 150.2
[M+HCOO]- 274.16600 169.9
[M+CH3COO]- 288.18165 186.6
[M+Na-2H]- 250.14247 158.6
[M]+ 229.16725 153.6
[M]- 229.16835 153.6
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