CID 155859099

2580223-58-9

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC(C12CCC2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-10-7-9(8-15)13(10)5-4-6-13/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
GOSAJKNPUKQVRS-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formylspiro[3.3]heptan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 152.9
[M+Na]+ 262.14137 155.1
[M-H]- 238.14487 157.7
[M+NH4]+ 257.18597 159.1
[M+K]+ 278.11531 160.1
[M+H-H2O]+ 222.14941 139.0
[M+HCOO]- 284.15035 169.0
[M+CH3COO]- 298.16600 204.6
[M+Na-2H]- 260.12682 156.0
[M]+ 239.15160 169.0
[M]- 239.15270 169.0
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

patents stripe