CID 178199960

Tert-butyl n-[3-(hydroxymethyl)-4,4-dimethyloxolan-3-yl]carbamate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC1(COCC1(CO)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H23NO4/c1-10(2,3)17-9(15)13-12(6-14)8-16-7-11(12,4)5/h14H,6-8H2,1-5H3,(H,13,15)
InChIKey
XQMXXTNBTSJHAK-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)-4,4-dimethyloxolan-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 154.6
[M+Na]+ 268.15192 160.6
[M-H]- 244.15542 157.4
[M+NH4]+ 263.19652 175.8
[M+K]+ 284.12586 161.4
[M+H-H2O]+ 228.15996 152.0
[M+HCOO]- 290.16090 173.1
[M+CH3COO]- 304.17655 190.5
[M+Na-2H]- 266.13737 160.4
[M]+ 245.16215 156.4
[M]- 245.16325 156.4
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

No patent data available for this compound.