CID 117775952

Tert-butyl 3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)O
InChI
InChI=1S/C9H17NO4/c1-8(2,3)14-7(12)10-4-9(13,5-10)6-11/h11,13H,4-6H2,1-3H3
InChIKey
RNKWSKWWWDZDLB-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

203.11575 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 148.3
[M+Na]+ 226.104968 153.5
[M-H]- 202.108474 147.9
[M+NH4]+ 221.149573 160.4
[M+K]+ 242.078908 156.2
[M+H-H2O]+ 186.113010 139.2
[M+HCOO]- 248.113951 163.5
[M+CH3COO]- 262.129601 182.2
[M+Na-2H]- 224.090416 152.3
[M]+ 203.11520142 157.4
[M]- 203.11629858 157.4
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