CID 155895557

Tert-butyl n-[1-(hydroxymethyl)-3,3-dimethylcyclobutyl]carbamate

Structural Information

Molecular Formula
C12H23NO3
SMILES
CC1(CC(C1)(CO)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H23NO3/c1-10(2,3)16-9(15)13-12(8-14)6-11(4,5)7-12/h14H,6-8H2,1-5H3,(H,13,15)
InChIKey
IHXPPFQXYWBYLL-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(hydroxymethyl)-3,3-dimethylcyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.175076 158.5
[M+Na]+ 252.157018 163.0
[M-H]- 228.160524 160.8
[M+NH4]+ 247.201623 173.3
[M+K]+ 268.130958 165.5
[M+H-H2O]+ 212.165060 150.9
[M+HCOO]- 274.166001 176.2
[M+CH3COO]- 288.181651 193.3
[M+Na-2H]- 250.142466 162.9
[M]+ 229.16725142 168.2
[M]- 229.16834858 168.2
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.