CID 165992545

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

Structural Information

Molecular Formula
C12H21NO2
SMILES
CC1(CC(=C)C1)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO2/c1-9-6-12(5,7-9)8-13-10(14)15-11(2,3)4/h1,6-8H2,2-5H3,(H,13,14)
InChIKey
BVPDUMQFFDAWCA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-methyl-3-methylidenecyclobutyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.16451 153.2
[M+Na]+ 234.14645 157.8
[M-H]- 210.14995 156.6
[M+NH4]+ 229.19105 167.5
[M+K]+ 250.12039 159.8
[M+H-H2O]+ 194.15449 144.1
[M+HCOO]- 256.15543 172.5
[M+CH3COO]- 270.17108 193.1
[M+Na-2H]- 232.13190 156.8
[M]+ 211.15668 162.3
[M]- 211.15778 162.3
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.