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

125
Patents

211.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.128126 152.6
[M+Na]+ 234.110068 162.6
[M-H]- 210.113574 156.7
[M+NH4]+ 229.154673 168.6
[M+K]+ 250.084008 159.5
[M+H-H2O]+ 194.118110 147.5
[M+HCOO]- 256.119051 171.1
[M+CH3COO]- 270.134701 189.7
[M+Na-2H]- 232.095516 155.5
[M]+ 211.12030142 157.7
[M]- 211.12139858 157.7
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