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
(1R,2R)-2-(methoxymethyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.6
[M+Na]+ 138.08894 128.1
[M-H]- 114.09244 125.8
[M+NH4]+ 133.13354 138.4
[M+K]+ 154.06288 131.0
[M+H-H2O]+ 98.096980 112.5
[M+HCOO]- 160.09792 145.2
[M+CH3COO]- 174.11357 175.9
[M+Na-2H]- 136.07439 127.9
[M]+ 115.09917 129.6
[M]- 115.10027 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