CID 10330344

Tert-butyl n-[(3s)-4-methylpent-1-yn-3-yl]carbamate

Structural Information

Molecular Formula
C11H19NO2
SMILES
CC(C)[C@@H](C#C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO2/c1-7-9(8(2)3)12-10(13)14-11(4,5)6/h1,8-9H,2-6H3,(H,12,13)/t9-/m1/s1
InChIKey
XEDKAILLTLQJMB-SECBINFHSA-N
Compound name
tert-butyl N-[(3S)-4-methylpent-1-yn-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

197.14159 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.148866 149.8
[M+Na]+ 220.130808 156.8
[M-H]- 196.134314 149.4
[M+NH4]+ 215.175413 167.0
[M+K]+ 236.104748 156.4
[M+H-H2O]+ 180.138850 139.1
[M+HCOO]- 242.139791 164.1
[M+CH3COO]- 256.155441 196.6
[M+Na-2H]- 218.116256 150.8
[M]+ 197.14104142 145.6
[M]- 197.14213858 145.6
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