CID 24720933

Rac-tert-butyl n-[(1r,2s)-2-(hydroxymethyl)cyclopropyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

187.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 140.9
[M+Na]+ 210.11007 149.1
[M-H]- 186.11357 144.5
[M+NH4]+ 205.15467 155.5
[M+K]+ 226.08401 146.9
[M+H-H2O]+ 170.11811 135.8
[M+HCOO]- 232.11905 162.0
[M+CH3COO]- 246.13470 185.5
[M+Na-2H]- 208.09552 145.7
[M]+ 187.12030 144.6
[M]- 187.12140 144.6
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