CID 154578210

2649075-07-8

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)NC1C2CCC3C1(C3C2)C=O
InChI
InChI=1S/C14H21NO3/c1-13(2,3)18-12(17)15-11-8-4-5-9-10(6-8)14(9,11)7-16/h7-11H,4-6H2,1-3H3,(H,15,17)
InChIKey
DITNWIJFQPCTOM-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-formyl-6-tricyclo[3.2.1.02,7]octanyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 162.3
[M+Na]+ 274.14137 169.0
[M-H]- 250.14487 162.0
[M+NH4]+ 269.18597 182.6
[M+K]+ 290.11531 165.2
[M+H-H2O]+ 234.14941 158.9
[M+HCOO]- 296.15035 172.9
[M+CH3COO]- 310.16600 203.8
[M+Na-2H]- 272.12682 170.6
[M]+ 251.15160 170.3
[M]- 251.15270 170.3
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.