CID 55266581

Tert-butyl n-[(1r,2r)-2-hydroxycyclobutyl]carbamate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1O
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-5-7(6)11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7-/m1/s1
InChIKey
FVUJIZNXJAXEJU-RNFRBKRXSA-N
Compound name
tert-butyl N-[(1R,2R)-2-hydroxycyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

187.12085 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 143.9
[M+Na]+ 210.110068 147.9
[M-H]- 186.113574 146.0
[M+NH4]+ 205.154673 156.3
[M+K]+ 226.084008 150.9
[M+H-H2O]+ 170.118110 133.5
[M+HCOO]- 232.119051 162.7
[M+CH3COO]- 246.134701 185.2
[M+Na-2H]- 208.095516 147.3
[M]+ 187.12030142 151.8
[M]- 187.12139858 151.8
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