CID 130792378

668987-84-6

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H]([C@H]2[C@@H]1C2)CO
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-4-7(6-14)8-5-9(8)10/h7-10,14H,4-6H2,1-3H3,(H,13,15)/t7-,8-,9-,10-/m0/s1
InChIKey
GGWGZYCGAGSAFZ-XKNYDFJKSA-N
Compound name
tert-butyl N-[(1S,2S,4R,5R)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 152.0
[M+Na]+ 250.14137 160.4
[M+NH4]+ 245.18597 159.5
[M+K]+ 266.11531 160.0
[M-H]- 226.14487 158.3
[M+Na-2H]- 248.12682 155.4
[M]+ 227.15160 155.7
[M]- 227.15270 155.7
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.