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]+ 254.175076 161.2
[M+Na]+ 276.157018 164.5
[M-H]- 252.160524 166.2
[M+NH4]+ 271.201623 177.1
[M+K]+ 292.130958 166.0
[M+H-H2O]+ 236.165060 152.8
[M+HCOO]- 298.166001 179.3
[M+CH3COO]- 312.181651 196.3
[M+Na-2H]- 274.142466 165.1
[M]+ 253.16725142 168.6
[M]- 253.16834858 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.