CID 45089120

2377869-63-9

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC[C@@H]1C[C@@]1(C(=O)OC)N
InChI
InChI=1S/C7H13NO2/c1-3-5-4-7(5,8)6(9)10-2/h5H,3-4,8H2,1-2H3/t5-,7-/m1/s1
InChIKey
OGJFOUDGUGGQPA-IYSWYEEDSA-N
Compound name
methyl (1R,2R)-1-amino-2-ethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

143.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.9
[M+Na]+ 166.08386 139.5
[M-H]- 142.08736 134.7
[M+NH4]+ 161.12846 148.3
[M+K]+ 182.05780 138.6
[M+H-H2O]+ 126.09190 125.7
[M+HCOO]- 188.09284 153.4
[M+CH3COO]- 202.10849 180.1
[M+Na-2H]- 164.06931 135.5
[M]+ 143.09409 133.3
[M]- 143.09519 133.3
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