CID 21582704

551000-83-0

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+/m0/s1
InChIKey
YOSDSNLBVMRZSO-DTWKUNHWSA-N
Compound name
tert-butyl N-[(1R,4S)-4-hydroxycyclohex-2-en-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 149.2
[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

literature stripe

Patent stripe

patents stripe