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

2
Patents

173.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 136.6
[M+Na]+ 196.094418 145.2
[M-H]- 172.097924 140.4
[M+NH4]+ 191.139023 151.8
[M+K]+ 212.068358 143.3
[M+H-H2O]+ 156.102460 131.7
[M+HCOO]- 218.103401 158.0
[M+CH3COO]- 232.119051 182.6
[M+Na-2H]- 194.079866 142.0
[M]+ 173.10465142 140.0
[M]- 173.10574858 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