CID 287986

1-tert-butyl-3-hydroxyazetidine

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)(C)N1CC(C1)O
InChI
InChI=1S/C7H15NO/c1-7(2,3)8-4-6(9)5-8/h6,9H,4-5H2,1-3H3
InChIKey
SSQMTFZAUDZFTK-UHFFFAOYSA-N
Compound name
1-tert-butylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

359
Patents

129.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 128.7
[M+Na]+ 152.10459 134.9
[M-H]- 128.10809 129.8
[M+NH4]+ 147.14919 142.9
[M+K]+ 168.07853 137.2
[M+H-H2O]+ 112.11263 119.0
[M+HCOO]- 174.11357 146.4
[M+CH3COO]- 188.12922 174.5
[M+Na-2H]- 150.09004 134.4
[M]+ 129.11482 136.0
[M]- 129.11592 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe