CID 137943591

2260937-41-3

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC2(C1)CCC2)C=O
InChI
InChI=1S/C14H23NO3/c1-12(2,3)18-11(17)15-9-14(10-16)7-13(8-14)5-4-6-13/h10H,4-9H2,1-3H3,(H,15,17)
InChIKey
WSQYWJLCLBOURO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-formylspiro[3.3]heptan-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 159.8
[M+Na]+ 276.15702 161.8
[M-H]- 252.16052 164.6
[M+NH4]+ 271.20162 167.1
[M+K]+ 292.13096 166.4
[M+H-H2O]+ 236.16506 147.3
[M+HCOO]- 298.16600 175.6
[M+CH3COO]- 312.18165 205.9
[M+Na-2H]- 274.14247 164.0
[M]+ 253.16725 176.3
[M]- 253.16835 176.3
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.