CID 118997546

1638761-29-1

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C2)CO
InChI
InChI=1S/C12H21NO3/c1-10(2,3)16-9(15)13-7-11-4-12(5-11,6-11)8-14/h14H,4-8H2,1-3H3,(H,13,15)
InChIKey
WKAJJGDMKAXWMH-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

227.15215 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 179.0
[M+Na]+ 250.14137 180.0
[M-H]- 226.14487 180.3
[M+NH4]+ 245.18597 182.4
[M+K]+ 266.11531 186.1
[M+H-H2O]+ 210.14941 165.3
[M+HCOO]- 272.15035 188.6
[M+CH3COO]- 286.16600 215.4
[M+Na-2H]- 248.12682 183.0
[M]+ 227.15160 203.9
[M]- 227.15270 203.9
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