CID 22904935

Tert-butyl n-(pent-4-yn-1-yl)carbamate

Structural Information

Molecular Formula
C10H17NO2
SMILES
CC(C)(C)OC(=O)NCCCC#C
InChI
InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
JTPJJKZSKWNWKK-UHFFFAOYSA-N
Compound name
tert-butyl N-pent-4-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

338
Patents

183.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 144.6
[M+Na]+ 206.11515 152.3
[M-H]- 182.11865 144.1
[M+NH4]+ 201.15975 162.3
[M+K]+ 222.08909 151.3
[M+H-H2O]+ 166.12319 133.8
[M+HCOO]- 228.12413 160.9
[M+CH3COO]- 242.13978 192.3
[M+Na-2H]- 204.10060 148.4
[M]+ 183.12538 141.2
[M]- 183.12648 141.2
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