CID 59596501

3-(tert-butoxy)azetidine hydrochloride

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)(C)OC1CNC1
InChI
InChI=1S/C7H15NO/c1-7(2,3)9-6-4-8-5-6/h6,8H,4-5H2,1-3H3
InChIKey
OFIHLJVSTBCYEM-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxy]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 128.7
[M+Na]+ 152.104588 134.1
[M-H]- 128.108094 129.4
[M+NH4]+ 147.149193 142.6
[M+K]+ 168.078528 136.4
[M+H-H2O]+ 112.112630 118.8
[M+HCOO]- 174.113571 146.5
[M+CH3COO]- 188.129221 173.4
[M+Na-2H]- 150.090036 135.1
[M]+ 129.11482142 135.7
[M]- 129.11591858 135.7
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

patents stripe