CID 165739604

(2,2-dimethylazetidin-3-yl)methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(C(CN1)CO)C
InChI
InChI=1S/C6H13NO/c1-6(2)5(4-8)3-7-6/h5,7-8H,3-4H2,1-2H3
InChIKey
OINJJDUXGDGROO-UHFFFAOYSA-N
Compound name
(2,2-dimethylazetidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 125.7
[M+Na]+ 138.088938 132.3
[M-H]- 114.092444 125.7
[M+NH4]+ 133.133543 141.5
[M+K]+ 154.062878 133.6
[M+H-H2O]+ 98.096980 117.1
[M+HCOO]- 160.097921 143.8
[M+CH3COO]- 174.113571 168.9
[M+Na-2H]- 136.074386 131.8
[M]+ 115.09917142 131.7
[M]- 115.10026858 131.7
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.