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

22
Patents

203.11575 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 148.3
[M+Na]+ 226.10497 153.5
[M-H]- 202.10847 147.9
[M+NH4]+ 221.14957 160.4
[M+K]+ 242.07891 156.2
[M+H-H2O]+ 186.11301 139.2
[M+HCOO]- 248.11395 163.5
[M+CH3COO]- 262.12960 182.2
[M+Na-2H]- 224.09042 152.3
[M]+ 203.11520 157.4
[M]- 203.11630 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