CID 101385305

Rac-tert-butyl n-[(1r,2r)-2-hydroxycyclopropyl]carbamate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6(5)10/h5-6,10H,4H2,1-3H3,(H,9,11)/t5-,6-/m1/s1
InChIKey
ADDQFOFVZONVIN-PHDIDXHHSA-N
Compound name
tert-butyl N-[(1R,2R)-2-hydroxycyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

173.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 136.6
[M+Na]+ 196.09442 145.2
[M-H]- 172.09792 140.4
[M+NH4]+ 191.13902 151.8
[M+K]+ 212.06836 143.3
[M+H-H2O]+ 156.10246 131.7
[M+HCOO]- 218.10340 158.0
[M+CH3COO]- 232.11905 182.6
[M+Na-2H]- 194.07987 142.0
[M]+ 173.10465 140.0
[M]- 173.10575 140.0
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