CID 121605549

1934426-37-5

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2CC(=O)CC2C1
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-10-4-8-6-11(15)7-9(8)5-10/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
FROMJMYXRCXEKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 158.0
[M+Na]+ 262.14137 163.4
[M-H]- 238.14487 162.0
[M+NH4]+ 257.18597 180.1
[M+K]+ 278.11531 162.0
[M+H-H2O]+ 222.14941 153.8
[M+HCOO]- 284.15035 177.6
[M+CH3COO]- 298.16600 193.0
[M+Na-2H]- 260.12682 158.7
[M]+ 239.15160 156.9
[M]- 239.15270 156.9
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.