CID 45116481

159786-56-8

Structural Information

Molecular Formula
C6H11NO2
SMILES
COC(=O)[C@@H]1C[C@H]1CN
InChI
InChI=1S/C6H11NO2/c1-9-6(8)5-2-4(5)3-7/h4-5H,2-3,7H2,1H3/t4-,5+/m0/s1
InChIKey
CMHSWRSLJXDXBH-CRCLSJGQSA-N
Compound name
methyl (1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

129.07898 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 125.5
[M+Na]+ 152.06820 134.9
[M-H]- 128.07170 130.2
[M+NH4]+ 147.11280 142.6
[M+K]+ 168.04214 133.2
[M+H-H2O]+ 112.07624 120.0
[M+HCOO]- 174.07718 149.7
[M+CH3COO]- 188.09283 177.6
[M+Na-2H]- 150.05365 130.6
[M]+ 129.07843 128.1
[M]- 129.07953 128.1
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.