CID 53249204

1257293-78-9

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)(C1CNC1)O
InChI
InChI=1S/C6H13NO/c1-6(2,8)5-3-7-4-5/h5,7-8H,3-4H2,1-2H3
InChIKey
ALDIUUDTUYLMIV-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
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 130.9
[M-H]- 114.092444 125.1
[M+NH4]+ 133.133543 139.2
[M+K]+ 154.062878 132.5
[M+H-H2O]+ 98.096980 116.0
[M+HCOO]- 160.097921 142.2
[M+CH3COO]- 174.113571 168.6
[M+Na-2H]- 136.074386 131.9
[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