CID 165453947

2763741-03-1

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CC=C[C@H](C1)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h4,6,8-9,13H,5,7H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKey
XZZDHSKHOPBCIT-DTWKUNHWSA-N
Compound name
tert-butyl N-[(1S,5S)-5-hydroxycyclohex-3-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.2
[M+Na]+ 236.12571 153.9
[M-H]- 212.12921 151.0
[M+NH4]+ 231.17031 167.1
[M+K]+ 252.09965 153.0
[M+H-H2O]+ 196.13375 143.8
[M+HCOO]- 258.13469 168.1
[M+CH3COO]- 272.15034 186.0
[M+Na-2H]- 234.11116 153.1
[M]+ 213.13594 147.0
[M]- 213.13704 147.0
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.