CID 155820349

2567495-03-6

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCCC2)C=O
InChI
InChI=1S/C14H23NO3/c1-12(2,3)18-11(17)15-14(10-16)8-13(9-14)6-4-5-7-13/h10H,4-9H2,1-3H3,(H,15,17)
InChIKey
NFFYIOJVHPEPND-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylspiro[3.4]octan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 161.2
[M+Na]+ 276.15702 164.5
[M-H]- 252.16052 166.2
[M+NH4]+ 271.20162 177.1
[M+K]+ 292.13096 166.0
[M+H-H2O]+ 236.16506 152.8
[M+HCOO]- 298.16600 179.3
[M+CH3COO]- 312.18165 196.3
[M+Na-2H]- 274.14247 165.1
[M]+ 253.16725 168.6
[M]- 253.16835 168.6
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.