CID 17915673

Tert-butyl n-[3-(hydroxymethyl)oxetan-3-yl]carbamate

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC(C)(C)OC(=O)NC1(COC1)CO
InChI
InChI=1S/C9H17NO4/c1-8(2,3)14-7(12)10-9(4-11)5-13-6-9/h11H,4-6H2,1-3H3,(H,10,12)
InChIKey
IVFJORRHEURGIF-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)oxetan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

203.11575 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.123026 145.9
[M+Na]+ 226.104968 149.6
[M-H]- 202.108474 148.6
[M+NH4]+ 221.149573 158.1
[M+K]+ 242.078908 154.2
[M+H-H2O]+ 186.113010 136.5
[M+HCOO]- 248.113951 164.0
[M+CH3COO]- 262.129601 185.7
[M+Na-2H]- 224.090416 152.5
[M]+ 203.11520142 155.8
[M]- 203.11629858 155.8
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