CID 146155771

2416235-67-9

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)NC1C2CC3C1(C3C2)C=O
InChI
InChI=1S/C13H19NO3/c1-12(2,3)17-11(16)14-10-7-4-8-9(5-7)13(8,10)6-15/h6-10H,4-5H2,1-3H3,(H,14,16)
InChIKey
FDBATDYMCZOQTQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formyl-3-tricyclo[2.2.1.02,6]heptanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.5
[M+Na]+ 260.12571 163.0
[M-H]- 236.12921 156.7
[M+NH4]+ 255.17031 178.2
[M+K]+ 276.09965 159.0
[M+H-H2O]+ 220.13375 153.4
[M+HCOO]- 282.13469 169.9
[M+CH3COO]- 296.15034 199.6
[M+Na-2H]- 258.11116 160.6
[M]+ 237.13594 164.6
[M]- 237.13704 164.6
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.