CID 14722757

(e)-tert-butyl (4-hydroxybut-2-en-1-yl)carbamate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)OC(=O)NC/C=C/CO
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h4-5,11H,6-7H2,1-3H3,(H,10,12)/b5-4+
InChIKey
VYNNEQMTIKFYLS-SNAWJCMRSA-N
Compound name
tert-butyl N-[(E)-4-hydroxybut-2-enyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

187.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 144.0
[M+Na]+ 210.11007 151.2
[M+NH4]+ 205.15467 149.4
[M+K]+ 226.08401 147.7
[M-H]- 186.11357 141.2
[M+Na-2H]- 208.09552 145.2
[M]+ 187.12030 143.7
[M]- 187.12140 143.7
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