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

42
Patents

203.11575 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 145.9
[M+Na]+ 226.10497 149.6
[M-H]- 202.10847 148.6
[M+NH4]+ 221.14957 158.1
[M+K]+ 242.07891 154.2
[M+H-H2O]+ 186.11301 136.5
[M+HCOO]- 248.11395 164.0
[M+CH3COO]- 262.12960 185.7
[M+Na-2H]- 224.09042 152.5
[M]+ 203.11520 155.8
[M]- 203.11630 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