CID 124653524

156222-64-9

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)[C@@H]1C[C@@]1(C(=O)OC)N
InChI
InChI=1S/C8H15NO2/c1-5(2)6-4-8(6,9)7(10)11-3/h5-6H,4,9H2,1-3H3/t6-,8+/m0/s1
InChIKey
WUSFTPRVCOZISP-POYBYMJQSA-N
Compound name
methyl (1R,2S)-1-amino-2-propan-2-ylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.6
[M+Na]+ 180.09950 142.6
[M-H]- 156.10300 138.3
[M+NH4]+ 175.14410 151.5
[M+K]+ 196.07344 141.9
[M+H-H2O]+ 140.10754 129.4
[M+HCOO]- 202.10848 155.9
[M+CH3COO]- 216.12413 183.9
[M+Na-2H]- 178.08495 137.6
[M]+ 157.10973 136.8
[M]- 157.11083 136.8
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

No patent data available for this compound.