CID 56698890

419572-19-3

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2C=O
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-4-7-8(5-12)9(7)6-13/h6-9H,4-5H2,1-3H3/t7-,8+,9?
InChIKey
NZZFUILVSGRYMR-JVHMLUBASA-N
Compound name
tert-butyl (1S,5R)-6-formyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 149.8
[M+Na]+ 234.11007 159.9
[M+NH4]+ 229.15467 157.1
[M+K]+ 250.08401 159.0
[M-H]- 210.11357 155.3
[M+Na-2H]- 232.09552 153.5
[M]+ 211.12030 153.6
[M]- 211.12140 153.6
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

patents stripe