CID 138112130

2168418-55-9

Structural Information

Molecular Formula
C12H20N2O3
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(=O)NC2
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-8-4-12(5-8)6-9(15)13-7-12/h8H,4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
RRFWAPYXANMBJP-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-oxo-6-azaspiro[3.4]octan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1474 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15468 157.0
[M+Na]+ 263.13662 160.4
[M-H]- 239.14012 159.5
[M+NH4]+ 258.18122 169.7
[M+K]+ 279.11056 161.8
[M+H-H2O]+ 223.14466 146.9
[M+HCOO]- 285.14560 173.0
[M+CH3COO]- 299.16125 192.0
[M+Na-2H]- 261.12207 159.5
[M]+ 240.14685 162.3
[M]- 240.14795 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.