CID 139048593

2042752-00-9

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C)(C)OC(=O)NCC#CC#C
InChI
InChI=1S/C10H13NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,8H2,2-4H3,(H,11,12)
InChIKey
ZZRYFJCUZRZPAT-UHFFFAOYSA-N
Compound name
tert-butyl N-penta-2,4-diynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 155.2
[M+Na]+ 202.08386 163.7
[M-H]- 178.08736 156.0
[M+NH4]+ 197.12846 168.2
[M+K]+ 218.05780 161.9
[M+H-H2O]+ 162.09190 141.8
[M+HCOO]- 224.09284 164.0
[M+CH3COO]- 238.10849 208.9
[M+Na-2H]- 200.06931 156.2
[M]+ 179.09409 147.6
[M]- 179.09519 147.6
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

No patent data available for this compound.