CID 11413221

1820569-79-6

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C=C1)O
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4,6,8-9,13H,5,7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKey
YOSDSNLBVMRZSO-BDAKNGLRSA-N
Compound name
tert-butyl N-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

213.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.0
[M+Na]+ 236.12571 157.3
[M+NH4]+ 231.17031 155.6
[M+K]+ 252.09965 153.6
[M-H]- 212.12921 149.1
[M+Na-2H]- 234.11116 152.4
[M]+ 213.13594 149.8
[M]- 213.13704 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.