CID 155819935

Rac-tert-butyl n-[(1r,2s,4s)-3-formylbicyclo[2.2.1]heptan-2-yl]carbamate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)C1C=O
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-11-9-5-4-8(6-9)10(11)7-15/h7-11H,4-6H2,1-3H3,(H,14,16)/t8-,9+,10?,11-/m0/s1
InChIKey
UQRDWBUTDRBGSD-IXMYILBSSA-N
Compound name
tert-butyl N-[(1R,2S,4S)-3-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 158.7
[M+Na]+ 262.14137 164.4
[M-H]- 238.14487 161.4
[M+NH4]+ 257.18597 181.5
[M+K]+ 278.11531 163.0
[M+H-H2O]+ 222.14941 154.9
[M+HCOO]- 284.15035 178.0
[M+CH3COO]- 298.16600 194.2
[M+Na-2H]- 260.12682 160.4
[M]+ 239.15160 159.5
[M]- 239.15270 159.5
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.