CID 24801409

1016233-26-3

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)N1[C@H](C[C@H]1CO)CO
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7(5-12)4-8(11)6-13/h7-8,12-13H,4-6H2,1-3H3/t7-,8+
InChIKey
ZEVITVQAVGWZKZ-OCAPTIKFSA-N
Compound name
tert-butyl (2R,4S)-2,4-bis(hydroxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

217.13141 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 151.9
[M+Na]+ 240.12063 156.7
[M-H]- 216.12413 151.3
[M+NH4]+ 235.16523 161.8
[M+K]+ 256.09457 159.0
[M+H-H2O]+ 200.12867 141.3
[M+HCOO]- 262.12961 166.8
[M+CH3COO]- 276.14526 186.7
[M+Na-2H]- 238.10608 153.5
[M]+ 217.13086 161.4
[M]- 217.13196 161.4
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