CID 165881958

Tert-butyl n-[(1,3-dihydroxycyclobutyl)methyl]carbamate

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC(C1)O)O
InChI
InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-6-10(14)4-7(12)5-10/h7,12,14H,4-6H2,1-3H3,(H,11,13)
InChIKey
SHUWIRGWJFHSRN-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1,3-dihydroxycyclobutyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13141 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 153.2
[M+Na]+ 240.120628 156.9
[M-H]- 216.124134 153.9
[M+NH4]+ 235.165233 165.6
[M+K]+ 256.094568 159.5
[M+H-H2O]+ 200.128670 144.1
[M+HCOO]- 262.129611 170.2
[M+CH3COO]- 276.145261 187.4
[M+Na-2H]- 238.106076 156.8
[M]+ 217.13086142 161.3
[M]- 217.13195858 161.3
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.