CID 18366137

Tert-butyl n-methyl-n-(prop-2-yn-1-yl)carbamate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C)(C)OC(=O)N(C)CC#C
InChI
InChI=1S/C9H15NO2/c1-6-7-10(5)8(11)12-9(2,3)4/h1H,7H2,2-5H3
InChIKey
QVMLIHFGUIRVKU-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

169.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 139.5
[M+Na]+ 192.099498 147.8
[M-H]- 168.103004 140.5
[M+NH4]+ 187.144103 158.4
[M+K]+ 208.073438 148.2
[M+H-H2O]+ 152.107540 128.7
[M+HCOO]- 214.108481 156.6
[M+CH3COO]- 228.124131 192.8
[M+Na-2H]- 190.084946 143.2
[M]+ 169.10973142 136.9
[M]- 169.11082858 136.9
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