CID 95731324

(1s)-1-(1-methylazetidin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
C[C@@H](C1CN(C1)C)O
InChI
InChI=1S/C6H13NO/c1-5(8)6-3-7(2)4-6/h5-6,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKey
MCGGNCUHFFNTAE-YFKPBYRVSA-N
Compound name
(1S)-1-(1-methylazetidin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.5
[M+Na]+ 138.08894 130.4
[M-H]- 114.09244 125.5
[M+NH4]+ 133.13354 138.9
[M+K]+ 154.06288 133.0
[M+H-H2O]+ 98.096980 114.3
[M+HCOO]- 160.09792 143.1
[M+CH3COO]- 174.11357 172.8
[M+Na-2H]- 136.07439 128.8
[M]+ 115.09917 131.3
[M]- 115.10027 131.3
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.