CID 138987635

2305255-05-2

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)NC1CC2CCC1(C2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-10-6-9-4-5-13(10,7-9)8-15/h8-10H,4-7H2,1-3H3,(H,14,16)
InChIKey
HSLBRTPICUZCQN-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formyl-2-bicyclo[2.2.1]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 158.4
[M+Na]+ 262.14137 164.2
[M-H]- 238.14487 160.9
[M+NH4]+ 257.18597 182.9
[M+K]+ 278.11531 162.7
[M+H-H2O]+ 222.14941 155.1
[M+HCOO]- 284.15035 177.7
[M+CH3COO]- 298.16600 192.5
[M+Na-2H]- 260.12682 162.1
[M]+ 239.15160 159.1
[M]- 239.15270 159.1
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.