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 155.5
[M+Na]+ 262.14137 157.9
[M-H]- 238.14487 160.4
[M+NH4]+ 257.18597 163.3
[M+K]+ 278.11531 162.6
[M+H-H2O]+ 222.14941 143.1
[M+HCOO]- 284.15035 171.6
[M+CH3COO]- 298.16600 203.3
[M+Na-2H]- 260.12682 160.1
[M]+ 239.15160 171.7
[M]- 239.15270 171.7
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