CID 155858686

2580191-05-3

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)C1CC(C1)(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO3/c1-12(2,3)10-7-14(8-10,9-16)15-11(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,17)
InChIKey
RTQLTZMROYPMJG-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-tert-butyl-1-formylcyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 164.5
[M+Na]+ 278.172658 168.4
[M-H]- 254.176164 167.8
[M+NH4]+ 273.217263 177.1
[M+K]+ 294.146598 171.2
[M+H-H2O]+ 238.180700 155.6
[M+HCOO]- 300.181641 181.8
[M+CH3COO]- 314.197291 200.8
[M+Na-2H]- 276.158106 168.2
[M]+ 255.18289142 175.1
[M]- 255.18398858 175.1
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.