CID 118905705

Tert-butyl 3-(1-hydroxyprop-2-yn-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(C#C)O
InChI
InChI=1S/C11H17NO3/c1-5-9(13)8-6-12(7-8)10(14)15-11(2,3)4/h1,8-9,13H,6-7H2,2-4H3
InChIKey
XWILFESGBXDUQA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-hydroxyprop-2-ynyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 146.7
[M+Na]+ 234.11007 152.6
[M-H]- 210.11357 146.3
[M+NH4]+ 229.15467 155.9
[M+K]+ 250.08401 155.7
[M+H-H2O]+ 194.11811 130.8
[M+HCOO]- 256.11905 157.1
[M+CH3COO]- 270.13470 195.5
[M+Na-2H]- 232.09552 147.6
[M]+ 211.12030 149.2
[M]- 211.12140 149.2
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