CID 92131081

(3,3-dimethyloxetan-2-yl)methanamine

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(COC1CN)C
InChI
InChI=1S/C6H13NO/c1-6(2)4-8-5(6)3-7/h5H,3-4,7H2,1-2H3
InChIKey
NCPHDIBQJSWLLO-UHFFFAOYSA-N
Compound name
(3,3-dimethyloxetan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.5
[M+Na]+ 138.088938 128.9
[M-H]- 114.092444 126.8
[M+NH4]+ 133.133543 139.2
[M+K]+ 154.062878 132.7
[M+H-H2O]+ 98.096980 113.8
[M+HCOO]- 160.097921 144.3
[M+CH3COO]- 174.113571 175.4
[M+Na-2H]- 136.074386 130.0
[M]+ 115.09917142 130.4
[M]- 115.10026858 130.4
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