CID 122163496

Rac-(1r,2r)-2-(methoxymethyl)cyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H13NO
SMILES
COC[C@@H]1CC[C@H]1N
InChI
InChI=1S/C6H13NO/c1-8-4-5-2-3-6(5)7/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKey
NSUHDXDXMDDKGW-NTSWFWBYSA-N
Compound name
cis-(1R,2R)-2-(methoxymethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.6
[M+Na]+ 138.088938 128.1
[M-H]- 114.092444 125.8
[M+NH4]+ 133.133543 138.4
[M+K]+ 154.062878 131.0
[M+H-H2O]+ 98.096980 112.5
[M+HCOO]- 160.097921 145.2
[M+CH3COO]- 174.113571 175.9
[M+Na-2H]- 136.074386 127.9
[M]+ 115.09917142 129.6
[M]- 115.10026858 129.6
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