CID 58242062

1691917-59-5

Structural Information

Molecular Formula
C10H17NO2
SMILES
CCC(C#C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17NO2/c1-6-8(7-2)11-9(12)13-10(3,4)5/h1,8H,7H2,2-5H3,(H,11,12)
InChIKey
RBTXZJOEDUPLAN-UHFFFAOYSA-N
Compound name
tert-butyl N-pent-1-yn-3-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

183.12593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 145.3
[M+Na]+ 206.11515 152.8
[M-H]- 182.11865 144.9
[M+NH4]+ 201.15975 163.0
[M+K]+ 222.08909 152.3
[M+H-H2O]+ 166.12319 134.6
[M+HCOO]- 228.12413 160.7
[M+CH3COO]- 242.13978 193.1
[M+Na-2H]- 204.10060 147.9
[M]+ 183.12538 141.3
[M]- 183.12648 141.3
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