CID 155822477

Rac-methyl (1r,2s)-2-(aminomethyl)cyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC(=O)[C@@H]1CC[C@@H]1CN
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6-3-2-5(6)4-8/h5-6H,2-4,8H2,1H3/t5-,6-/m1/s1
InChIKey
ZUWRDCWIFSQITP-PHDIDXHHSA-N
Compound name
methyl (1R,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.9
[M+Na]+ 166.08386 135.8
[M-H]- 142.08736 133.9
[M+NH4]+ 161.12846 145.3
[M+K]+ 182.05780 138.8
[M+H-H2O]+ 126.09190 120.2
[M+HCOO]- 188.09284 152.5
[M+CH3COO]- 202.10849 180.1
[M+Na-2H]- 164.06931 134.1
[M]+ 143.09409 138.1
[M]- 143.09519 138.1
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.