CID 123473933

2683586-81-2

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CC(C1)NC)O
InChI
InChI=1S/C6H13NO/c1-6(8)3-5(4-6)7-2/h5,7-8H,3-4H2,1-2H3
InChIKey
RZTRDGYZPYLHMG-UHFFFAOYSA-N
Compound name
1-methyl-3-(methylamino)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 124.4
[M+Na]+ 138.088938 130.3
[M-H]- 114.092444 127.1
[M+NH4]+ 133.133543 141.8
[M+K]+ 154.062878 132.6
[M+H-H2O]+ 98.096980 115.8
[M+HCOO]- 160.097921 146.1
[M+CH3COO]- 174.113571 173.6
[M+Na-2H]- 136.074386 131.2
[M]+ 115.09917142 130.8
[M]- 115.10026858 130.8
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