CID 138738847

2170528-51-3

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCC2)C=O
InChI
InChI=1S/C13H21NO3/c1-11(2,3)17-10(16)14-13(9-15)7-12(8-13)5-4-6-12/h9H,4-8H2,1-3H3,(H,14,16)
InChIKey
ZDFLEQYTPMXBMP-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylspiro[3.3]heptan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.15215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 166.7
[M+Na]+ 262.14137 165.2
[M+NH4]+ 257.18597 167.6
[M+K]+ 278.11531 161.6
[M-H]- 238.14487 161.8
[M+Na-2H]- 260.12682 166.6
[M]+ 239.15160 162.9
[M]- 239.15270 162.9
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

patents stripe